1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(1-ethyl-3-methyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(1-ethyl-3-methyl-pyrazol-4-yl)sulfonyl-piperazine Formula: C17H22ClFN4O2S MolecularWeight: 400.898583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22ClFN4O2S/c1-3-22-12-17(13(2)20-22)26(24,25)23-8-6-21(7-9-23)11-14-4-5-16(19)15(18)10-14/h4-5,10,12H,3,6-9,11H2,1-2H3