[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

Systemtic Name: [4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Openeye Name: [4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone CAS Name: [4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-[4-(1-pyrazolyl)phenyl]methanone IUPAC Name: [4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone Traditional Name: [4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]-(4-pyrazol-1-ylphenyl)methanone Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN4O3S/c1-16-15-19(7-8-20(16)22)30(28,29)25-13-11-24(12-14-25)21(27)17-3-5-18(6-4-17)26-10-2-9-23-26/h2-10,15H,11-14H2,1H3