1-[2,4-dimethyl-5-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[2,4-dimethyl-5-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[2,4-dimethyl-5-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[2,4-dimethyl-5-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C20H24N4O6S MolecularWeight: 448.49276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C(=C(N3)C)C(=O)C)C

InChI

InChI=1S/C20H24N4O6S/c1-12-5-6-16(24(27)28)11-17(12)31(29,30)23-9-7-22(8-10-23)20(26)19-13(2)18(15(4)25)14(3)21-19/h5-6,11,21H,7-10H2,1-4H3