(phenylmethyl) 4-(5-cyano-1-methylsulfonyl-indol-3-yl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-(5-cyano-1-methylsulfonyl-indol-3-yl)piperidine-1-carboxylate Openeye Name: benzyl 4-(5-cyano-1-methylsulfonyl-indol-3-yl)piperidine-1-carboxylate CAS Name: 4-(5-cyano-1-methylsulfonyl-3-indolyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(5-cyano-1-methylsulfonylindol-3-yl)piperidine-1-carboxylate Traditional Name: 4-(5-cyano-1-mesyl-indol-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C23H23N3O4S MolecularWeight: 437.51142

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1C=C(C2=C1C=CC(=C2)C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)N1C=C(C2=C1C=CC(=C2)C#N)C3CCN(CC3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C23H23N3O4S/c1-31(28,29)26-15-21(20-13-18(14-24)7-8-22(20)26)19-9-11-25(12-10-19)23(27)30-16-17-5-3-2-4-6-17/h2-8,13,15,19H,9-12,16H2,1H3