Name: Name:1-[2-(methoxycarbonyl)benzenesulfonyl]piperidine-4-carboxylic acid
Brand: Angene
SKU: AG019IO8
Rating: 90 (10 reviews)

1-[2-(methoxycarbonyl)benzenesulfonyl]piperidine-4-carboxylic acid

CAS No.:

731802-61-2

Catalog Number:

AG019IO8

Molecular Formula:

C14H17NO6S

Molecular Weight:

327.3529

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Product Description

Catalog Number:

AG019IO8

Chemical Name:

1-[2-(methoxycarbonyl)benzenesulfonyl]piperidine-4-carboxylic acid

CAS Number:

731802-61-2

Molecular Formula:

C14H17NO6S

Molecular Weight:

327.3529

MDL Number:

MFCD04627365

IUPAC Name:

1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylic acid

InChI:

InChI=1S/C14H17NO6S/c1-21-14(18)11-4-2-3-5-12(11)22(19,20)15-8-6-10(7-9-15)13(16)17/h2-5,10H,6-9H2,1H3,(H,16,17)

InChI Key:

CFWJREFIAWGSEU-UHFFFAOYSA-N

SMILES:

COC(=O)c1ccccc1S(=O)(=O)N1CCC(CC1)C(=O)O

Properties

Complexity:

518

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

327.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

327.351g/mol

Monoisotopic Mass:

327.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

109A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.9

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101