2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]sulfonylbenzonitrile Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N)F

InChI

InChI=1S/C19H20FN3O3S/c1-26-18-7-6-15(12-17(18)20)14-22-8-10-23(11-9-22)27(24,25)19-5-3-2-4-16(19)13-21/h2-7,12H,8-11,14H2,1H3