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

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C21H20ClN5O5S MolecularWeight: 489.932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN5O5S/c1-15-19(20(22)26(23-15)16-7-3-2-4-8-16)21(28)24-11-13-25(14-12-24)33(31,32)18-10-6-5-9-17(18)27(29)30/h2-10H,11-14H2,1H3