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

Systemtic Name: (2,5-dimethyl-1-pyridin-2-yl-pyrrol-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [2,5-dimethyl-1-(2-pyridinyl)-3-pyrrolyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (2,5-dimethyl-1-pyridin-2-ylpyrrol-3-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [2,5-dimethyl-1-(2-pyridyl)pyrrol-3-yl]-[4-(2-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/c1-16-15-18(17(2)26(16)21-9-5-6-10-23-21)22(28)24-11-13-25(14-12-24)33(31,32)20-8-4-3-7-19(20)27(29)30/h3-10,15H,11-14H2,1-2H3