1-(4-methylphenyl)sulfonyl-3-phenyl-2H-indole-3-carboxylic acid

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-indole-3-carboxylic acid Openeye Name: 3-phenyl-1-(p-tolylsulfonyl)indoline-3-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-indole-3-carboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-2H-indole-3-carboxylic acid Traditional Name: 3-phenyl-1-tosyl-indoline-3-carboxylic acid Formula: C22H19NO4S MolecularWeight: 393.45556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C32)(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C32)(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H19NO4S/c1-16-11-13-18(14-12-16)28(26,27)23-15-22(21(24)25,17-7-3-2-4-8-17)19-9-5-6-10-20(19)23/h2-14H,15H2,1H3,(H,24,25)