[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone Traditional Name: (4-besylpiperazino)-[3-(4-bromophenyl)-1H-pyrazol-5-yl]methanone Formula: C20H19BrN4O3S MolecularWeight: 475.35886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H19BrN4O3S/c21-16-8-6-15(7-9-16)18-14-19(23-22-18)20(26)24-10-12-25(13-11-24)29(27,28)17-4-2-1-3-5-17/h1-9,14H,10-13H2,(H,22,23)