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

Systemtic Name: 4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide Openeye Name: N-[[3-(isopropylsulfamoyl)phenyl]methyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide IUPAC Name: 4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-[[3-(propan-2-ylsulfamoyl)phenyl]methyl]butanamide Traditional Name: N-[3-(isopropylsulfamoyl)benzyl]-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C21H24N4O7S MolecularWeight: 476.50286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC(C)NS(=O)(=O)C1=CC=CC(=C1)CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H24N4O7S/c1-14(2)23-33(30,31)17-6-3-5-15(11-17)13-22-20(26)7-4-10-24-18-9-8-16(25(28)29)12-19(18)32-21(24)27/h3,5-6,8-9,11-12,14,23H,4,7,10,13H2,1-2H3,(H,22,26)