1-(4-methylphenyl)sulfonyl-1-phenyl-5-piperidin-1-yl-pentan-3-one hydrochloride

Systemtic Name: 1-(4-methylphenyl)sulfonyl-1-phenyl-5-piperidin-1-yl-pentan-3-one hydrochloride Openeye Name: 1-phenyl-5-(1-piperidyl)-1-(p-tolylsulfonyl)pentan-3-one hydrochloride CAS Name: 1-(4-methylphenyl)sulfonyl-1-phenyl-5-(1-piperidinyl)-3-pentanone hydrochloride IUPAC Name: 1-(4-methylphenyl)sulfonyl-1-phenyl-5-piperidin-1-ylpentan-3-one hydrochloride Traditional Name: 1-phenyl-5-piperidino-1-tosyl-pentan-3-one hydrochloride Formula: C23H30ClNO3S MolecularWeight: 436.0072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)CCN2CCCCC2)C3=CC=CC=C3.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)CCN2CCCCC2)C3=CC=CC=C3.Cl

InChI

InChI=1S/C23H29NO3S.ClH/c1-19-10-12-22(13-11-19)28(26,27)23(20-8-4-2-5-9-20)18-21(25)14-17-24-15-6-3-7-16-24;/h2,4-5,8-13,23H,3,6-7,14-18H2,1H3;1H