[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]prop-2-enoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 3-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 3-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]prop-2-enoate CAS Name: 3-[3-(1-azepanylsulfonyl)-4-methoxyphenyl]-2-propenoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 3-[3-(azepan-1-ylsulfonyl)-4-methoxyphenyl]prop-2-enoate Traditional Name: 3-[3-(azepan-1-ylsulfonyl)-4-methoxy-phenyl]acrylic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C24H26FNO6S MolecularWeight: 475.529743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)F)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C24H26FNO6S/c1-31-22-12-6-18(16-23(22)33(29,30)26-14-4-2-3-5-15-26)7-13-24(28)32-17-21(27)19-8-10-20(25)11-9-19/h6-13,16H,2-5,14-15,17H2,1H3