2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(3R,5R)-3,5-dimethyl-1-piperidyl]ethanone CAS Name: 2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(3R,5R)-3,5-dimethylpiperidino]ethanone Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H31N3O3S/c1-17-12-18(2)14-21(13-17)15-20(24)22-8-10-23(11-9-22)27(25,26)16-19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3/t17-,18-/m1/s1