6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-(phenylsulfonyl)hexan-2-one hydrochloride

Systemtic Name: 6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-1-(phenylsulfonyl)hexan-2-one hydrochloride Openeye Name: 1-(benzenesulfonyl)-6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-hexan-2-one hydrochloride CAS Name: 1-(benzenesulfonyl)-6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-2-hexanone hydrochloride IUPAC Name: 1-(benzenesulfonyl)-6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methylhexan-2-one hydrochloride Traditional Name: 1-besyl-6-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-hexan-2-one hydrochloride Formula: C20H30ClNO3S MolecularWeight: 399.9751

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CN(CC1)CCCC(C)C(=O)CS(=O)(=O)C2=CC=CC=C2)C.Cl

Isomeric SMILES

CC1=C(CN(CC1)CCCC(C)C(=O)CS(=O)(=O)C2=CC=CC=C2)C.Cl

InChI

InChI=1S/C20H29NO3S.ClH/c1-16-11-13-21(14-18(16)3)12-7-8-17(2)20(22)15-25(23,24)19-9-5-4-6-10-19;/h4-6,9-10,17H,7-8,11-15H2,1-3H3;1H