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

Systemtic Name: 1-[2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]carbonyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone CAS Name: 1-[2,4-dimethyl-5-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-[4-(3-nitrophenyl)sulfonylpiperazine-1-carbonyl]-1H-pyrrol-3-yl]ethanone Formula: C19H22N4O6S MolecularWeight: 434.46618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H22N4O6S/c1-12-17(14(3)24)13(2)20-18(12)19(25)21-7-9-22(10-8-21)30(28,29)16-6-4-5-15(11-16)23(26)27/h4-6,11,20H,7-10H2,1-3H3