(2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c1-16-14-20(17(2)26(16)21-8-3-4-9-23-21)22(28)24-10-12-25(13-11-24)33(31,32)19-7-5-6-18(15-19)27(29)30/h3-9,14-15H,10-13H2,1-2H3