methyl 3-(4-methylphenyl)sulfanyl-1-(phenylsulfonyl)indole-4-carboxylate

Systemtic Name: methyl 3-(4-methylphenyl)sulfanyl-1-(phenylsulfonyl)indole-4-carboxylate Openeye Name: methyl 1-(benzenesulfonyl)-3-(p-tolylsulfanyl)indole-4-carboxylate CAS Name: 1-(benzenesulfonyl)-3-[(4-methylphenyl)thio]-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(benzenesulfonyl)-3-(4-methylphenyl)sulfanylindole-4-carboxylate Traditional Name: 1-besyl-3-(p-tolylthio)indole-4-carboxylic acid methyl ester Formula: C23H19NO4S2 MolecularWeight: 437.53126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CN(C3=CC=CC(=C32)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CN(C3=CC=CC(=C32)C(=O)OC)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H19NO4S2/c1-16-11-13-17(14-12-16)29-21-15-24(30(26,27)18-7-4-3-5-8-18)20-10-6-9-19(22(20)21)23(25)28-2/h3-15H,1-2H3