[4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [4-(5-methyl-3,4-dihydropyrazol-2-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [4-(3-methyl-2-pyrazolin-1-yl)phenyl]-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H23N5O5S MolecularWeight: 457.50282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O5S/c1-16-9-10-25(22-16)18-7-5-17(6-8-18)21(27)23-11-13-24(14-12-23)32(30,31)20-4-2-3-19(15-20)26(28)29/h2-8,15H,9-14H2,1H3