(3-methyl-2-pyrrol-1-yl-phenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (3-methyl-2-pyrrol-1-yl-phenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (3-methyl-2-pyrrol-1-yl-phenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-methyl-2-(1-pyrrolyl)phenyl]-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (3-methyl-2-pyrrol-1-ylphenyl)-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (3-methyl-2-pyrrol-1-yl-phenyl)-(4-nosylpiperazino)methanone Formula: C22H22N4O5S MolecularWeight: 454.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1N2C=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1N2C=CC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5S/c1-17-5-4-6-20(21(17)23-11-2-3-12-23)22(27)24-13-15-25(16-14-24)32(30,31)19-9-7-18(8-10-19)26(28)29/h2-12H,13-16H2,1H3