1-(5-methylthiophen-2-yl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-methylthiophen-2-yl)-4-[4-(phenylmethyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(5-methyl-2-thienyl)butane-1,4-dione CAS Name: 1-(5-methyl-2-thiophenyl)-4-[4-(phenylmethyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-4-(5-methylthiophen-2-yl)butane-1,4-dione Traditional Name: 1-(4-benzylsulfonylpiperazino)-4-(5-methyl-2-thienyl)butane-1,4-dione Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O4S2/c1-16-7-9-19(27-16)18(23)8-10-20(24)21-11-13-22(14-12-21)28(25,26)15-17-5-3-2-4-6-17/h2-7,9H,8,10-15H2,1H3