[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,4-dimethylphenyl)sulfonylpiperazino]methanone Formula: C22H23BrN4O3S MolecularWeight: 503.41202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23BrN4O3S/c1-15-3-8-21(16(2)13-15)31(29,30)27-11-9-26(10-12-27)22(28)20-14-19(24-25-20)17-4-6-18(23)7-5-17/h3-8,13-14H,9-12H2,1-2H3,(H,24,25)