Name: Name:methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate
Brand: Angene
SKU: AG019KXX
Rating: 90 (10 reviews)

methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate

CAS No.:

1000931-00-9

Catalog Number:

AG019KXX

Molecular Formula:

C22H22N2O5S

Molecular Weight:

426.4855

Catalog Number:

AG019KXX

Chemical Name:

methyl 4-{[N-(pyridin-3-ylmethyl)4-methoxybenzenesulfonamido]methyl}benzoate

CAS Number:

1000931-00-9

Molecular Formula:

C22H22N2O5S

Molecular Weight:

426.4855

MDL Number:

MFCD09802106

IUPAC Name:

methyl 4-[[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]methyl]benzoate

InChI:

InChI=1S/C22H22N2O5S/c1-28-20-9-11-21(12-10-20)30(26,27)24(16-18-4-3-13-23-14-18)15-17-5-7-19(8-6-17)22(25)29-2/h3-14H,15-16H2,1-2H3

InChI Key:

SJGWWYLTWATUEV-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)Cc1ccc(cc1)C(=O)OC

Complexity:

634

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

426.125g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

426.487g/mol

Monoisotopic Mass:

426.125g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

94.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8