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

Systemtic Name: [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [5-methyl-1-(m-tolyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [5-methyl-1-(3-methylphenyl)-4-pyrazolyl]-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [5-methyl-1-(3-methylphenyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [5-methyl-1-(m-tolyl)pyrazol-4-yl]-[4-(2-nitrophenyl)sulfonylpiperazino]methanone Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

InChI=1S/C22H23N5O5S/c1-16-6-5-7-18(14-16)26-17(2)19(15-23-26)22(28)24-10-12-25(13-11-24)33(31,32)21-9-4-3-8-20(21)27(29)30/h3-9,14-15H,10-13H2,1-2H3