4-[[(4-carboxyphenyl)methyl-(phenylsulfonyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-carboxyphenyl)methyl-(phenylsulfonyl)amino]methyl]benzoic acid Openeye Name: 4-[[benzenesulfonyl-[(4-carboxyphenyl)methyl]amino]methyl]benzoic acid CAS Name: 4-[[benzenesulfonyl-[(4-carboxyphenyl)methyl]amino]methyl]benzoic acid IUPAC Name: 4-[[benzenesulfonyl-[(4-carboxyphenyl)methyl]amino]methyl]benzoic acid Traditional Name: 4-[[besyl-(4-carboxybenzyl)amino]methyl]benzoic acid Formula: C22H19NO6S MolecularWeight: 425.45436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=C(C=C2)C(=O)O)CC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H19NO6S/c24-21(25)18-10-6-16(7-11-18)14-23(30(28,29)20-4-2-1-3-5-20)15-17-8-12-19(13-9-17)22(26)27/h1-13H,14-15H2,(H,24,25)(H,26,27)