1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone

Systemtic Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Openeye Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone CAS Name: 1-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-2-(1-phenyl-4-pyrazolyl)ethanone IUPAC Name: 1-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-2-(1-phenylpyrazol-4-yl)ethanone Traditional Name: 1-[4-(3-bromophenyl)sulfonylpiperazino]-2-(1-phenylpyrazol-4-yl)ethanone Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CN(N=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H21BrN4O3S/c22-18-5-4-8-20(14-18)30(28,29)25-11-9-24(10-12-25)21(27)13-17-15-23-26(16-17)19-6-2-1-3-7-19/h1-8,14-16H,9-13H2