[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(3-bromophenyl)sulfonylpiperazin-1-yl]-[1-(phenylmethyl)pyrazol-4-yl]methanone Openeye Name: (1-benzylpyrazol-4-yl)-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methanone CAS Name: [4-(3-bromophenyl)sulfonyl-1-piperazinyl]-[1-(phenylmethyl)-4-pyrazolyl]methanone IUPAC Name: (1-benzylpyrazol-4-yl)-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (1-benzylpyrazol-4-yl)-[4-(3-bromophenyl)sulfonylpiperazino]methanone Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN(N=C2)CC3=CC=CC=C3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

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