4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]methyl]benzoic acid

Systemtic Name: 4-[[(2-azanyl-2-oxidanylidene-1-phenyl-ethyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]methyl]benzoic acid Openeye Name: 4-[[(2-amino-2-oxo-1-phenyl-ethyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoic acid IUPAC Name: 4-[[(2-amino-2-oxo-1-phenylethyl)-(3,4-dimethoxyphenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[(2-amino-2-keto-1-phenyl-ethyl)-(3,4-dimethoxyphenyl)sulfonyl-amino]methyl]benzoic acid Formula: C24H24N2O7S MolecularWeight: 484.52156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)C(C3=CC=CC=C3)C(=O)N)OC

InChI

InChI=1S/C24H24N2O7S/c1-32-20-13-12-19(14-21(20)33-2)34(30,31)26(15-16-8-10-18(11-9-16)24(28)29)22(23(25)27)17-6-4-3-5-7-17/h3-14,22H,15H2,1-2H3,(H2,25,27)(H,28,29)