N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-3-(6-methoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)-2-oxidanylidene-cyclohexane-1-carboxamide

Systemtic Name: N-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]-3-(6-methoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)-2-oxidanylidene-cyclohexane-1-carboxamide Openeye Name: N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-2-oxo-cyclohexanecarboxamide CAS Name: N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-2-oxo-1-cyclohexanecarboxamide IUPAC Name: N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]-3-(6-methoxy-2-oxo-1,3-benzoxazol-3-yl)-2-oxocyclohexane-1-carboxamide Traditional Name: N-[2-fluoro-4-(2-mesylphenyl)phenyl]-2-keto-3-(2-keto-6-methoxy-1,3-benzoxazol-3-yl)cyclohexanecarboxamide Formula: C28H25FN2O7S MolecularWeight: 552.570703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)O2)C3CCCC(C3=O)C(=O)NC4=C(C=C(C=C4)C5=CC=CC=C5S(=O)(=O)C)F

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)O2)C3CCCC(C3=O)C(=O)NC4=C(C=C(C=C4)C5=CC=CC=C5S(=O)(=O)C)F

InChI

InChI=1S/C28H25FN2O7S/c1-37-17-11-13-22-24(15-17)38-28(34)31(22)23-8-5-7-19(26(23)32)27(33)30-21-12-10-16(14-20(21)29)18-6-3-4-9-25(18)39(2,35)36/h3-4,6,9-15,19,23H,5,7-8H2,1-2H3,(H,30,33)