[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone CAS Name: [3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone Traditional Name: (4-benzylsulfonylpiperazino)-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]methanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=C2)C(=O)N3CCN(CC3)S(=O)(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O3S/c1-17-8-9-20(14-18(17)2)21-15-22(25-24-21)23(28)26-10-12-27(13-11-26)31(29,30)16-19-6-4-3-5-7-19/h3-9,14-15H,10-13,16H2,1-2H3,(H,24,25)