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

Systemtic Name: (5-cyano-2-fluoranyl-phenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Openeye Name: (5-cyano-2-fluoro-phenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanylsulfonyl)phenyl]-2-propenoic acid (5-cyano-2-fluorophenyl)methyl ester IUPAC Name: (5-cyano-2-fluorophenyl)methyl (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-ylsulfonyl)phenyl]acrylic acid (5-cyano-2-fluoro-benzyl) ester Formula: C23H23FN2O4S MolecularWeight: 442.503123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C=CC(=O)OCC3=C(C=CC(=C3)C#N)F

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)/C=C/C(=O)OCC3=C(C=CC(=C3)C#N)F

InChI

InChI=1S/C23H23FN2O4S/c24-22-11-7-19(16-25)15-20(22)17-30-23(27)12-8-18-5-9-21(10-6-18)31(28,29)26-13-3-1-2-4-14-26/h5-12,15H,1-4,13-14,17H2/b12-8+