2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethyl-1-piperidyl]ethanone CAS Name: 2-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-1-[(2S)-2-ethyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone Traditional Name: 2-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-1-[(2S)-2-ethylpiperidino]ethanone Formula: C21H33N3O3S MolecularWeight: 407.57002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C21H33N3O3S/c1-4-19-7-5-6-10-24(19)21(25)16-22-11-13-23(14-12-22)28(26,27)20-9-8-17(2)18(3)15-20/h8-9,15,19H,4-7,10-14,16H2,1-3H3/t19-/m0/s1