ethyl 4-[[3-(methylsulfonylaminomethyl)phenyl]methyl]piperidine-4-carboxylate hydrochloride

Systemtic Name: ethyl 4-[[3-(methylsulfonylaminomethyl)phenyl]methyl]piperidine-4-carboxylate hydrochloride Openeye Name: ethyl 4-[[3-(methanesulfonamidomethyl)phenyl]methyl]piperidine-4-carboxylate hydrochloride CAS Name: 4-[[3-(methanesulfonamidomethyl)phenyl]methyl]-4-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[3-(methanesulfonamidomethyl)phenyl]methyl]piperidine-4-carboxylate hydrochloride Traditional Name: 4-[3-(methanesulfonamidomethyl)benzyl]isonipecotic acid ethyl ester hydrochloride Formula: C17H27ClN2O4S MolecularWeight: 390.92528

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCNCC1)CC2=CC(=CC=C2)CNS(=O)(=O)C.Cl

Isomeric SMILES

CCOC(=O)C1(CCNCC1)CC2=CC(=CC=C2)CNS(=O)(=O)C.Cl

InChI

InChI=1S/C17H26N2O4S.ClH/c1-3-23-16(20)17(7-9-18-10-8-17)12-14-5-4-6-15(11-14)13-19-24(2,21)22;/h4-6,11,18-19H,3,7-10,12-13H2,1-2H3;1H