3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoic acid; 2-phenylbenzamide

Systemtic Name: 3-(1H-indol-3-yl)-2-(phenylsulfonylamino)propanoic acid; 2-phenylbenzamide Openeye Name: 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid; 2-phenylbenzamide CAS Name: 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid; 2-phenylbenzamide IUPAC Name: 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propanoic acid; 2-phenylbenzamide Traditional Name: 2-(benzenesulfonamido)-3-(1H-indol-3-yl)propionic acid; 2-phenylbenzamide Formula: C30H27N3O5S MolecularWeight: 541.61748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N.C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)N.C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C17H16N2O4S.C13H11NO/c20-17(21)16(19-24(22,23)13-6-2-1-3-7-13)10-12-11-18-15-9-5-4-8-14(12)15;14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,11,16,18-19H,10H2,(H,20,21);1-9H,(H2,14,15)