(E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfonyl-prop-2-enenitrile CAS Name: (E)-3-[4-(4-fluorophenyl)-1-piperazinyl]-2-(4-methoxyphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-[4-(4-fluorophenyl)piperazino]-2-(4-methoxyphenyl)sulfonyl-acrylonitrile Formula: C20H20FN3O3S MolecularWeight: 401.454503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O3S/c1-27-18-6-8-19(9-7-18)28(25,26)20(14-22)15-23-10-12-24(13-11-23)17-4-2-16(21)3-5-17/h2-9,15H,10-13H2,1H3/b20-15+