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

Systemtic Name: N-[3-(butylsulfamoyl)phenyl]-2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanamide Openeye Name: N-[3-(butylsulfamoyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide CAS Name: N-[3-(butylsulfamoyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide IUPAC Name: N-[3-(butylsulfamoyl)phenyl]-2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetamide Traditional Name: N-[3-(butylsulfamoyl)phenyl]-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O7S/c1-2-3-9-21-32(29,30)16-6-4-5-14(10-16)22-19(25)12-23-17-11-15(24(27)28)7-8-18(17)31-13-20(23)26/h4-8,10-11,21H,2-3,9,12-13H2,1H3,(H,22,25)