1-(4-chlorophenyl)-4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(4-chlorophenyl)-4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Openeye Name: 1-(4-chlorophenyl)-4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]butane-1,4-dione CAS Name: 1-(4-chlorophenyl)-4-[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(4-chlorophenyl)-4-[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]butane-1,4-dione Traditional Name: 1-(4-chlorophenyl)-4-[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]butane-1,4-dione Formula: C21H22ClN3O7S MolecularWeight: 495.93328

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H22ClN3O7S/c1-32-20-8-6-17(14-18(20)25(28)29)33(30,31)24-12-10-23(11-13-24)21(27)9-7-19(26)15-2-4-16(22)5-3-15/h2-6,8,14H,7,9-13H2,1H3