[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-pyridin-2-yl-pyrazol-4-yl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-[5-methyl-1-(2-pyridinyl)-4-pyrazolyl]methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-[5-methyl-1-(2-pyridyl)pyrazol-4-yl]methanone Formula: C21H22N6O6S MolecularWeight: 486.50098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O6S/c1-15-17(14-23-26(15)20-5-3-4-8-22-20)21(28)24-9-11-25(12-10-24)34(31,32)16-6-7-19(33-2)18(13-16)27(29)30/h3-8,13-14H,9-12H2,1-2H3