3-[[1-phenyl-2-(phenylsulfonylamino)ethyl]amino]benzoic acid

Systemtic Name: 3-[[1-phenyl-2-(phenylsulfonylamino)ethyl]amino]benzoic acid Openeye Name: 3-[[2-(benzenesulfonamido)-1-phenyl-ethyl]amino]benzoic acid CAS Name: 3-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzoic acid IUPAC Name: 3-[[2-(benzenesulfonamido)-1-phenylethyl]amino]benzoic acid Traditional Name: 3-[[2-(benzenesulfonamido)-1-phenyl-ethyl]amino]benzoic acid Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c24-21(25)17-10-7-11-18(14-17)23-20(16-8-3-1-4-9-16)15-22-28(26,27)19-12-5-2-6-13-19/h1-14,20,22-23H,15H2,(H,24,25)