1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)sulfonyl]-4-(4-nitrophenyl)piperazine IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine Traditional Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfonyl-4-(4-nitrophenyl)piperazine Formula: C21H23N5O4S MolecularWeight: 441.50342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4S/c1-16-21(17(2)25(22-16)19-6-4-3-5-7-19)31(29,30)24-14-12-23(13-15-24)18-8-10-20(11-9-18)26(27)28/h3-11H,12-15H2,1-2H3