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

Systemtic Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone Openeye Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone CAS Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-propylsulfonyl-1-piperazinyl)methanone IUPAC Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazin-1-yl)methanone Traditional Name: [3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-propylsulfonylpiperazino)methanone Formula: C17H21BrN4O3S MolecularWeight: 441.34264

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCS(=O)(=O)N1CCN(CC1)C(=O)C2=CC(=NN2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H21BrN4O3S/c1-2-11-26(24,25)22-9-7-21(8-10-22)17(23)16-12-15(19-20-16)13-3-5-14(18)6-4-13/h3-6,12H,2,7-11H2,1H3,(H,19,20)