[2-cyano-4-[(4-methylphenyl)sulfonyloxymethyl]-3-(1-phenylethylcarbamoyl)cyclopentyl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-cyano-4-[(4-methylphenyl)sulfonyloxymethyl]-3-(1-phenylethylcarbamoyl)cyclopentyl]methyl 4-methylbenzenesulfonate Openeye Name: [2-cyano-3-(1-phenylethylcarbamoyl)-4-(p-tolylsulfonyloxymethyl)cyclopentyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-cyano-4-[(4-methylphenyl)sulfonyloxymethyl]-3-[oxo-(1-phenylethylamino)methyl]cyclopentyl]methyl ester IUPAC Name: [2-cyano-4-[(4-methylphenyl)sulfonyloxymethyl]-3-(1-phenylethylcarbamoyl)cyclopentyl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-cyano-3-(1-phenylethylcarbamoyl)-4-(tosyloxymethyl)cyclopentyl]methyl ester Formula: C31H34N2O7S2 MolecularWeight: 610.74086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C(C2C#N)C(=O)NC(C)C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CC(C(C2C#N)C(=O)NC(C)C3=CC=CC=C3)COS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H34N2O7S2/c1-21-9-13-27(14-10-21)41(35,36)39-19-25-17-26(20-40-42(37,38)28-15-11-22(2)12-16-28)30(29(25)18-32)31(34)33-23(3)24-7-5-4-6-8-24/h4-16,23,25-26,29-30H,17,19-20H2,1-3H3,(H,33,34)