1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione

Systemtic Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-(p-tolylsulfonyl)piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-(2-thienyl)-4-(4-tosylpiperazino)butane-1,4-dione Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H22N2O4S2/c1-15-4-6-16(7-5-15)27(24,25)21-12-10-20(11-13-21)19(23)9-8-17(22)18-3-2-14-26-18/h2-7,14H,8-13H2,1H3