[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(3-nitrophenyl)sulfonylpiperazino]methanone Formula: C23H25N5O5S MolecularWeight: 483.5401

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O5S/c1-17-22(18(2)27(24-17)16-19-7-4-3-5-8-19)23(29)25-11-13-26(14-12-25)34(32,33)21-10-6-9-20(15-21)28(30)31/h3-10,15H,11-14,16H2,1-2H3