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

Systemtic Name: 5-(dimethylamino)-1-(4-methylphenyl)sulfonyl-1-phenyl-pentan-3-one hydrochloride Openeye Name: 5-(dimethylamino)-1-phenyl-1-(p-tolylsulfonyl)pentan-3-one hydrochloride CAS Name: 5-(dimethylamino)-1-(4-methylphenyl)sulfonyl-1-phenyl-3-pentanone hydrochloride IUPAC Name: 5-(dimethylamino)-1-(4-methylphenyl)sulfonyl-1-phenylpentan-3-one hydrochloride Traditional Name: 5-(dimethylamino)-1-phenyl-1-tosyl-pentan-3-one hydrochloride Formula: C20H26ClNO3S MolecularWeight: 395.94334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)CCN(C)C)C2=CC=CC=C2.Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)CCN(C)C)C2=CC=CC=C2.Cl

InChI

InChI=1S/C20H25NO3S.ClH/c1-16-9-11-19(12-10-16)25(23,24)20(17-7-5-4-6-8-17)15-18(22)13-14-21(2)3;/h4-12,20H,13-15H2,1-3H3;1H