1-[(3-bromophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1,5-dimethyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-bromobenzyl)-4-(1,5-dimethylpyrazol-4-yl)sulfonyl-piperazine Formula: C16H21BrN4O2S MolecularWeight: 413.33254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=C(C=NN1C)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C16H21BrN4O2S/c1-13-16(11-18-19(13)2)24(22,23)21-8-6-20(7-9-21)12-14-4-3-5-15(17)10-14/h3-5,10-11H,6-9,12H2,1-2H3