N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-4-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-2-oxidanyl-but-3-ynamide

Systemtic Name: N-(4-methyl-1-oxidanylidene-2,3-benzoxazin-6-yl)-4-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-2-oxidanyl-but-3-ynamide Openeye Name: 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-2-(4-methylsulfonylphenyl)-4-(p-tolyl)but-3-ynamide CAS Name: 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-(4-methylphenyl)-2-(4-methylsulfonylphenyl)-3-butynamide IUPAC Name: 2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)-4-(4-methylphenyl)-2-(4-methylsulfonylphenyl)but-3-ynamide Traditional Name: 2-hydroxy-N-(1-keto-4-methyl-2,3-benzoxazin-6-yl)-2-(4-mesylphenyl)-4-(p-tolyl)but-3-ynamide Formula: C27H22N2O6S MolecularWeight: 502.53838

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(C2=CC=C(C=C2)S(=O)(=O)C)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(C2=CC=C(C=C2)S(=O)(=O)C)(C(=O)NC3=CC4=C(C=C3)C(=O)ON=C4C)O

InChI

InChI=1S/C27H22N2O6S/c1-17-4-6-19(7-5-17)14-15-27(32,20-8-11-22(12-9-20)36(3,33)34)26(31)28-21-10-13-23-24(16-21)18(2)29-35-25(23)30/h4-13,16,32H,1-3H3,(H,28,31)