1-[(3-bromophenyl)methyl]-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1-ethyl-5-methyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(1-ethyl-5-methylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-bromobenzyl)-4-(1-ethyl-5-methyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C17H23BrN4O2S MolecularWeight: 427.35912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br)C

Isomeric SMILES

CCN1C(=C(C=N1)S(=O)(=O)N2CCN(CC2)CC3=CC(=CC=C3)Br)C

InChI

InChI=1S/C17H23BrN4O2S/c1-3-22-14(2)17(12-19-22)25(23,24)21-9-7-20(8-10-21)13-15-5-4-6-16(18)11-15/h4-6,11-12H,3,7-10,13H2,1-2H3