2-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[4-(2-methylpropyl)phenyl]carbonylpiperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(4-isobutylbenzoyl)-1-piperidyl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-[4-[[4-(2-methylpropyl)phenyl]-oxomethyl]-1-piperidinyl]-1-(4-methylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(4-isobutylbenzoyl)piperidino]-1-(4-mesylpiperazino)ethanone Formula: C23H35N3O4S MolecularWeight: 449.6067

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC(=O)N3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C23H35N3O4S/c1-18(2)16-19-4-6-20(7-5-19)23(28)21-8-10-24(11-9-21)17-22(27)25-12-14-26(15-13-25)31(3,29)30/h4-7,18,21H,8-17H2,1-3H3