2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoranyl-benzenecarbonitrile Openeye Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluoro-benzonitrile CAS Name: 2-[4-(4-ethoxyphenyl)sulfonyl-1-piperazinyl]-6-fluorobenzonitrile IUPAC Name: 2-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-6-fluorobenzonitrile Traditional Name: 2-fluoro-6-(4-p-phenetylsulfonylpiperazino)benzonitrile Formula: C19H20FN3O3S MolecularWeight: 389.443803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C19H20FN3O3S/c1-2-26-15-6-8-16(9-7-15)27(24,25)23-12-10-22(11-13-23)19-5-3-4-18(20)17(19)14-21/h3-9H,2,10-13H2,1H3