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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-bromophenyl)methyl]-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-bromophenyl)methyl]-4-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(1-ethyl-3,5-dimethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-bromobenzyl)-4-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C18H25BrN4O2S MolecularWeight: 441.3857

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN4O2S/c1-4-23-15(3)18(14(2)20-23)26(24,25)22-10-8-21(9-11-22)13-16-6-5-7-17(19)12-16/h5-7,12H,4,8-11,13H2,1-3H3