[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-3-piperidinecarboxylic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 1-(4-chlorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylnipecotic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C19H27ClN2O5S MolecularWeight: 430.94608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H27ClN2O5S/c1-14(2)9-10-21-18(23)13-27-19(24)15-4-3-11-22(12-15)28(25,26)17-7-5-16(20)6-8-17/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,21,23)