[1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-chlorophenyl)methylamino]-1-oxidanylidene-propan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-[(4-chlorophenyl)methylamino]-1-methyl-2-oxo-ethyl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(4-chlorophenyl)methylamino]-1-oxopropan-2-yl] 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid [2-[(4-chlorobenzyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C24H29ClN2O5S MolecularWeight: 493.01546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C)C(=O)NCC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C24H29ClN2O5S/c1-16-4-9-22(14-17(16)2)33(30,31)27-12-10-20(11-13-27)24(29)32-18(3)23(28)26-15-19-5-7-21(25)8-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,26,28)