[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(m-tolylsulfonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(3-methylphenyl)sulfonyl-1-piperazinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(m-tolylsulfonyl)piperazino]-(4-pyrazol-1-ylphenyl)methanone Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H22N4O3S/c1-17-4-2-5-20(16-17)29(27,28)24-14-12-23(13-15-24)21(26)18-6-8-19(9-7-18)25-11-3-10-22-25/h2-11,16H,12-15H2,1H3