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

Systemtic Name: 1-(4-methylphenyl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(p-tolyl)butane-1,4-dione CAS Name: 1-(4-methylphenyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(4-methylphenyl)butane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(p-tolyl)butane-1,4-dione Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O4S/c1-18-7-9-20(10-8-18)21(25)11-12-22(26)23-13-15-24(16-14-23)29(27,28)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3