(2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one Openeye Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methyl-1-piperidyl)propan-1-one CAS Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-(4-methyl-1-piperidinyl)-1-propanone IUPAC Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one Traditional Name: (2S)-2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-1-(4-methylpiperidino)propan-1-one Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-16-7-9-23(10-8-16)21(25)19(4)22-11-13-24(14-12-22)28(26,27)20-6-5-17(2)18(3)15-20/h5-6,15-16,19H,7-14H2,1-4H3/t19-/m0/s1