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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])N4C=CC=C4

InChI

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