6-(azepan-1-ylsulfonyl)-3-[2-(4-ethoxy-3-fluoranyl-phenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-ethoxy-3-fluoranyl-phenyl)-2-oxidanylidene-ethyl]-1,3-benzoxazol-2-one Openeye Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-ethoxy-3-fluoro-phenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one CAS Name: 6-(1-azepanylsulfonyl)-3-[2-(4-ethoxy-3-fluorophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one IUPAC Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-ethoxy-3-fluorophenyl)-2-oxoethyl]-1,3-benzoxazol-2-one Traditional Name: 6-(azepan-1-ylsulfonyl)-3-[2-(4-ethoxy-3-fluoro-phenyl)-2-keto-ethyl]-1,3-benzoxazol-2-one Formula: C23H25FN2O6S MolecularWeight: 476.517803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CN2C3=C(C=C(C=C3)S(=O)(=O)N4CCCCCC4)OC2=O)F

InChI

InChI=1S/C23H25FN2O6S/c1-2-31-21-10-7-16(13-18(21)24)20(27)15-26-19-9-8-17(14-22(19)32-23(26)28)33(29,30)25-11-5-3-4-6-12-25/h7-10,13-14H,2-6,11-12,15H2,1H3