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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27ClN2O5S/c1-3-16(4-2)21-18(23)13-27-19(24)14-6-5-11-22(12-14)28(25,26)17-9-7-15(20)8-10-17/h7-10,14,16H,3-6,11-13H2,1-2H3,(H,21,23)