[2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate

Systemtic Name: [2-[(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Openeye Name: [2-[(4-methylcyclohexyl)amino]-2-oxo-ethyl] 1-(p-tolylsulfonyl)pyrrolidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-pyrrolidinecarboxylic acid [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 1-(4-methylphenyl)sulfonylpyrrolidine-2-carboxylate Traditional Name: 1-tosylpyrrolidine-2-carboxylic acid [2-keto-2-[(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H30N2O5S MolecularWeight: 422.5383

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1CCC(CC1)NC(=O)COC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H30N2O5S/c1-15-5-9-17(10-6-15)22-20(24)14-28-21(25)19-4-3-13-23(19)29(26,27)18-11-7-16(2)8-12-18/h7-8,11-12,15,17,19H,3-6,9-10,13-14H2,1-2H3,(H,22,24)