Name: Name:4-[(([4-(2-METHOXYPHENOXY)PHENYL]SULFONYL)AMINO)METHYL]BENZOIC ACID
Brand: Angene
SKU: AG00H1Q3
Rating: 90 (10 reviews)

4-[(([4-(2-METHOXYPHENOXY)PHENYL]SULFONYL)AMINO)METHYL]BENZOIC ACID

CAS No.:

885268-84-8

Catalog Number:

AG00H1Q3

Molecular Formula:

C21H19NO6S

Molecular Weight:

413.4437

Catalog Number:

AG00H1Q3

Chemical Name:

4-[(([4-(2-METHOXYPHENOXY)PHENYL]SULFONYL)AMINO)METHYL]BENZOIC ACID

CAS Number:

885268-84-8

Molecular Formula:

C21H19NO6S

Molecular Weight:

413.4437

MDL Number:

MFCD06409361

IUPAC Name:

4-[[[4-(2-methoxyphenoxy)phenyl]sulfonylamino]methyl]benzoic acid

InChI:

InChI=1S/C21H19NO6S/c1-27-19-4-2-3-5-20(19)28-17-10-12-18(13-11-17)29(25,26)22-14-15-6-8-16(9-7-15)21(23)24/h2-13,22H,14H2,1H3,(H,23,24)

InChI Key:

SQSVKGCKTUPPME-UHFFFAOYSA-N

SMILES:

COc1ccccc1Oc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)O

Complexity:

618

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

413.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

413.444g/mol

Monoisotopic Mass:

413.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

110A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.4