3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-2-one

Systemtic Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-2-one Openeye Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-2-one CAS Name: 3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(4-methyl-3-nitrophenyl)sulfonyl-2-piperazinone IUPAC Name: 3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(4-methyl-3-nitrophenyl)sulfonylpiperazin-2-one Traditional Name: 3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(4-methyl-3-nitro-phenyl)sulfonyl-piperazin-2-one Formula: C22H23N5O5S MolecularWeight: 469.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCNC(=O)C2C3=C(N(N=C3C)C4=CC=CC=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O5S/c1-14-9-10-18(13-19(14)27(29)30)33(31,32)25-12-11-23-22(28)21(25)20-15(2)24-26(16(20)3)17-7-5-4-6-8-17/h4-10,13,21H,11-12H2,1-3H3,(H,23,28)