2-[(E)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 2-[(E)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 2-[(E)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxo-prop-1-enyl]benzonitrile CAS Name: 2-[(E)-3-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 2-[(E)-3-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxoprop-1-enyl]benzonitrile Traditional Name: 2-[(E)-3-[4-(4-fluorophenyl)sulfonylpiperazino]-3-keto-prop-1-enyl]benzonitrile Formula: C20H18FN3O3S MolecularWeight: 399.438623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C=CC2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CCN1C(=O)/C=C/C2=CC=CC=C2C#N)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H18FN3O3S/c21-18-6-8-19(9-7-18)28(26,27)24-13-11-23(12-14-24)20(25)10-5-16-3-1-2-4-17(16)15-22/h1-10H,11-14H2/b10-5+