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

Systemtic Name: 1-[(3-chloranyl-4-fluoranyl-phenyl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine Openeye Name: 1-[(3-chloro-4-fluoro-phenyl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine CAS Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-[(1-ethyl-4-pyrazolyl)sulfonyl]piperazine IUPAC Name: 1-[(3-chloro-4-fluorophenyl)methyl]-4-(1-ethylpyrazol-4-yl)sulfonylpiperazine Traditional Name: 1-(3-chloro-4-fluoro-benzyl)-4-(1-ethylpyrazol-4-yl)sulfonyl-piperazine Formula: C16H20ClFN4O2S MolecularWeight: 386.872003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClFN4O2S/c1-2-21-12-14(10-19-21)25(23,24)22-7-5-20(6-8-22)11-13-3-4-16(18)15(17)9-13/h3-4,9-10,12H,2,5-8,11H2,1H3