2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]ethanamide

Systemtic Name: 2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]ethanamide Openeye Name: N-[[3-(isopropylsulfamoyl)phenyl]methyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide IUPAC Name: 2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]acetamide Traditional Name: N-[3-(isopropylsulfamoyl)benzyl]-2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetamide Formula: C20H22N4O7S MolecularWeight: 462.47628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CN2C(=O)COC3=C2C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O7S/c1-13(2)22-32(29,30)16-5-3-4-14(8-16)10-21-19(25)11-23-17-9-15(24(27)28)6-7-18(17)31-12-20(23)26/h3-9,13,22H,10-12H2,1-2H3,(H,21,25)