4-[2-[(4-methoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid

Systemtic Name: 4-[2-[(4-methoxyphenyl)-(phenylsulfonyl)amino]ethanoylamino]benzoic acid Openeye Name: 4-[[2-[N-(benzenesulfonyl)-4-methoxy-anilino]acetyl]amino]benzoic acid CAS Name: 4-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[N-(benzenesulfonyl)-4-methoxyanilino]acetyl]amino]benzoic acid Traditional Name: 4-[[2-(N-besyl-4-methoxy-anilino)acetyl]amino]benzoic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O6S/c1-30-19-13-11-18(12-14-19)24(31(28,29)20-5-3-2-4-6-20)15-21(25)23-17-9-7-16(8-10-17)22(26)27/h2-14H,15H2,1H3,(H,23,25)(H,26,27)