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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-indole-2-carboxylic acid Openeye Name: 3-phenyl-1-(p-tolylsulfonyl)indole-2-carboxylic acid CAS Name: 1-(4-methylphenyl)sulfonyl-3-phenyl-2-indolecarboxylic acid IUPAC Name: 1-(4-methylphenyl)sulfonyl-3-phenylindole-2-carboxylic acid Traditional Name: 3-phenyl-1-tosyl-indole-2-carboxylic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C22H17NO4S/c1-15-11-13-17(14-12-15)28(26,27)23-19-10-6-5-9-18(19)20(21(23)22(24)25)16-7-3-2-4-8-16/h2-14H,1H3,(H,24,25)