[2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(butan-2-ylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(sec-butylamino)ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-(butan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(butan-2-ylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [2-keto-2-(sec-butylamino)ethyl] ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(C)NC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN2O5S/c1-3-13(2)20-17(22)12-26-18(23)14-8-10-21(11-9-14)27(24,25)16-6-4-15(19)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,22)