[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC(C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C24H28N2O5S/c1-17-7-11-21(12-8-17)32(29,30)26-15-13-19(14-16-26)24(28)31-22(18-5-3-2-4-6-18)23(27)25-20-9-10-20/h2-8,11-12,19-20,22H,9-10,13-16H2,1H3,(H,25,27)