2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-6-fluoro-benzonitrile Formula: C19H20FN3O4S MolecularWeight: 405.443203

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N)OC

InChI

InChI=1S/C19H20FN3O4S/c1-26-18-7-6-14(12-19(18)27-2)28(24,25)23-10-8-22(9-11-23)17-5-3-4-16(20)15(17)13-21/h3-7,12H,8-11H2,1-2H3