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

Systemtic Name: 1-(5-methylthiophen-2-yl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-methyl-2-thienyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(5-methyl-2-thiophenyl)-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-methylthiophen-2-yl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-methyl-2-thienyl)-4-[4-(3-nitrophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C19H21N3O6S2 MolecularWeight: 451.51654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6S2/c1-14-5-7-18(29-14)17(23)6-8-19(24)20-9-11-21(12-10-20)30(27,28)16-4-2-3-15(13-16)22(25)26/h2-5,7,13H,6,8-12H2,1H3