[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone

Systemtic Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Openeye Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone CAS Name: [4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]-[4-(5-methyl-1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Traditional Name: [4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]-[4-(5-methylpyrazol-1-yl)phenyl]methanone Formula: C22H23N5O6S MolecularWeight: 485.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O6S/c1-16-9-10-23-26(16)18-5-3-17(4-6-18)22(28)24-11-13-25(14-12-24)34(31,32)19-7-8-21(33-2)20(15-19)27(29)30/h3-10,15H,11-14H2,1-2H3