3-[[2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]amino]benzoic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]amino]benzoic acid Openeye Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]amino]benzoic acid CAS Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]amino]benzoic acid Traditional Name: 3-[[2-[(4-chlorophenyl)sulfonylamino]-1-phenyl-ethyl]amino]benzoic acid Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(CNS(=O)(=O)C2=CC=C(C=C2)Cl)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C21H19ClN2O4S/c22-17-9-11-19(12-10-17)29(27,28)23-14-20(15-5-2-1-3-6-15)24-18-8-4-7-16(13-18)21(25)26/h1-13,20,23-24H,14H2,(H,25,26)