4-[[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid Openeye Name: 4-[[benzyl-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid CAS Name: 4-[[(4-chlorophenyl)sulfonyl-(phenylmethyl)amino]methyl]benzoic acid IUPAC Name: 4-[[benzyl-(4-chlorophenyl)sulfonylamino]methyl]benzoic acid Traditional Name: 4-[[benzyl-(4-chlorophenyl)sulfonyl-amino]methyl]benzoic acid Formula: C21H18ClNO4S MolecularWeight: 415.88992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CC=C(C=C2)C(=O)O)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO4S/c22-19-10-12-20(13-11-19)28(26,27)23(14-16-4-2-1-3-5-16)15-17-6-8-18(9-7-17)21(24)25/h1-13H,14-15H2,(H,24,25)