(4-cyano-2-fluoranyl-phenyl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl (E)-3-(4-indolin-1-ylsulfonylphenyl)prop-2-enoate CAS Name: (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-2-propenoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl (E)-3-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-(4-indolin-1-ylsulfonylphenyl)acrylic acid (4-cyano-2-fluoro-benzyl) ester Formula: C25H19FN2O4S MolecularWeight: 462.492763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)C=CC(=O)OCC4=C(C=C(C=C4)C#N)F

Isomeric SMILES

C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)/C=C/C(=O)OCC4=C(C=C(C=C4)C#N)F

InChI

InChI=1S/C25H19FN2O4S/c26-23-15-19(16-27)5-9-21(23)17-32-25(29)12-8-18-6-10-22(11-7-18)33(30,31)28-14-13-20-3-1-2-4-24(20)28/h1-12,15H,13-14,17H2/b12-8+