6-chloranyl-N-[(3,4-diethoxyphenyl)methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide

Systemtic Name: 6-chloranyl-N-[(3,4-diethoxyphenyl)methyl]-3-oxidanylidene-4H-1,4-benzoxazine-7-sulfonamide Openeye Name: 6-chloro-N-[(3,4-diethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide CAS Name: 6-chloro-N-[(3,4-diethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide IUPAC Name: 6-chloro-N-[(3,4-diethoxyphenyl)methyl]-3-oxo-4H-1,4-benzoxazine-7-sulfonamide Traditional Name: 6-chloro-N-(3,4-diethoxybenzyl)-3-keto-4H-1,4-benzoxazine-7-sulfonamide Formula: C19H21ClN2O6S MolecularWeight: 440.89784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNS(=O)(=O)C2=C(C=C3C(=C2)OCC(=O)N3)Cl)OCC

InChI

InChI=1S/C19H21ClN2O6S/c1-3-26-15-6-5-12(7-17(15)27-4-2)10-21-29(24,25)18-9-16-14(8-13(18)20)22-19(23)11-28-16/h5-9,21H,3-4,10-11H2,1-2H3,(H,22,23)