[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-(4-pyrazol-1-ylphenyl)methanone Formula: C21H21N5O6S MolecularWeight: 471.48634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O6S/c1-32-20-8-7-18(15-19(20)26(28)29)33(30,31)24-13-11-23(12-14-24)21(27)16-3-5-17(6-4-16)25-10-2-9-22-25/h2-10,15H,11-14H2,1H3