[3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(3-chlorophenyl)-1H-pyrazol-5-yl]-(4-tosylpiperazino)methanone Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=NN3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H21ClN4O3S/c1-15-5-7-18(8-6-15)30(28,29)26-11-9-25(10-12-26)21(27)20-14-19(23-24-20)16-3-2-4-17(22)13-16/h2-8,13-14H,9-12H2,1H3,(H,23,24)