1-(4-ethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-ethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-ethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-ethylphenyl)-4-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-ethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-ethylphenyl)-4-[4-(3-nitrophenyl)sulfonylpiperazino]butane-1,4-dione Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O6S/c1-2-17-6-8-18(9-7-17)21(26)10-11-22(27)23-12-14-24(15-13-23)32(30,31)20-5-3-4-19(16-20)25(28)29/h3-9,16H,2,10-15H2,1H3