1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(2,5-dimethyl-3-thiophenyl)-4-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(2,5-dimethylthiophen-3-yl)-4-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(2,5-dimethyl-3-thienyl)-4-[4-(2-nitrophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C20H23N3O6S2 MolecularWeight: 465.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6S2/c1-14-13-16(15(2)30-14)18(24)7-8-20(25)21-9-11-22(12-10-21)31(28,29)19-6-4-3-5-17(19)23(26)27/h3-6,13H,7-12H2,1-2H3