2-methyl-1-[4-(phenylsulfonyl)phenyl]-3-piperidin-1-yl-propan-1-one hydrochloride

Systemtic Name: 2-methyl-1-[4-(phenylsulfonyl)phenyl]-3-piperidin-1-yl-propan-1-one hydrochloride Openeye Name: 1-[4-(benzenesulfonyl)phenyl]-2-methyl-3-(1-piperidyl)propan-1-one hydrochloride CAS Name: 1-[4-(benzenesulfonyl)phenyl]-2-methyl-3-(1-piperidinyl)-1-propanone hydrochloride IUPAC Name: 1-[4-(benzenesulfonyl)phenyl]-2-methyl-3-piperidin-1-ylpropan-1-one hydrochloride Traditional Name: 1-(4-besylphenyl)-2-methyl-3-piperidino-propan-1-one hydrochloride Formula: C21H26ClNO3S MolecularWeight: 407.95404

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3.Cl

Isomeric SMILES

CC(CN1CCCCC1)C(=O)C2=CC=C(C=C2)S(=O)(=O)C3=CC=CC=C3.Cl

InChI

InChI=1S/C21H25NO3S.ClH/c1-17(16-22-14-6-3-7-15-22)21(23)18-10-12-20(13-11-18)26(24,25)19-8-4-2-5-9-19;/h2,4-5,8-13,17H,3,6-7,14-16H2,1H3;1H