3-oxidanylidene-N-[2-(propylamino)-5-sulfamoyl-phenyl]-4H-1,4-benzoxazine-6-sulfonamide

Systemtic Name: 3-oxidanylidene-N-[2-(propylamino)-5-sulfamoyl-phenyl]-4H-1,4-benzoxazine-6-sulfonamide Openeye Name: 3-oxo-N-[2-(propylamino)-5-sulfamoyl-phenyl]-4H-1,4-benzoxazine-6-sulfonamide CAS Name: 3-oxo-N-[2-(propylamino)-5-sulfamoylphenyl]-4H-1,4-benzoxazine-6-sulfonamide IUPAC Name: 3-oxo-N-[2-(propylamino)-5-sulfamoylphenyl]-4H-1,4-benzoxazine-6-sulfonamide Traditional Name: 3-keto-N-[2-(propylamino)-5-sulfamoyl-phenyl]-4H-1,4-benzoxazine-6-sulfonamide Formula: C17H20N4O6S2 MolecularWeight: 440.4939

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C17H20N4O6S2/c1-2-7-19-13-5-3-11(28(18,23)24)8-14(13)21-29(25,26)12-4-6-16-15(9-12)20-17(22)10-27-16/h3-6,8-9,19,21H,2,7,10H2,1H3,(H,20,22)(H2,18,23,24)