1-(3,5-dimethylpiperidin-1-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(3,5-dimethylpiperidin-1-yl)-4-[4-(phenylsulfonyl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,5-dimethyl-1-piperidyl)butane-1,4-dione CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(3,5-dimethyl-1-piperidinyl)butane-1,4-dione IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(3,5-dimethylpiperidin-1-yl)butane-1,4-dione Traditional Name: 1-(4-besylpiperazino)-4-(3,5-dimethylpiperidino)butane-1,4-dione Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O4S/c1-17-14-18(2)16-23(15-17)21(26)9-8-20(25)22-10-12-24(13-11-22)29(27,28)19-6-4-3-5-7-19/h3-7,17-18H,8-16H2,1-2H3