1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-[4-(phenylmethyl)piperidin-1-yl]butane-1,4-dione

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-[4-(phenylmethyl)piperidin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzyl-1-piperidyl)-4-[4-(p-tolylsulfonyl)piperazin-1-yl]butane-1,4-dione CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-[4-(phenylmethyl)-1-piperidinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-benzylpiperidino)-4-(4-tosylpiperazino)butane-1,4-dione Formula: C27H35N3O4S MolecularWeight: 497.6495

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C27H35N3O4S/c1-22-7-9-25(10-8-22)35(33,34)30-19-17-29(18-20-30)27(32)12-11-26(31)28-15-13-24(14-16-28)21-23-5-3-2-4-6-23/h2-10,24H,11-21H2,1H3