N-(4-bromanyl-3-methyl-phenyl)-3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-3-[(6-methyl-3-oxidanylidene-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide CAS Name: N-(4-bromo-3-methylphenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide IUPAC Name: N-(4-bromo-3-methylphenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-3-[(3-keto-6-methyl-4H-1,4-benzoxazin-7-yl)sulfonyl]propionamide Formula: C19H19BrN2O5S MolecularWeight: 467.33356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)Br)C)OCC(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1S(=O)(=O)CCC(=O)NC3=CC(=C(C=C3)Br)C)OCC(=O)N2

InChI

InChI=1S/C19H19BrN2O5S/c1-11-7-13(3-4-14(11)20)21-18(23)5-6-28(25,26)17-9-16-15(8-12(17)2)22-19(24)10-27-16/h3-4,7-9H,5-6,10H2,1-2H3,(H,21,23)(H,22,24)