N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(5-nitro-2-oxidanyl-1H-indol-3-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(5-nitro-2-oxidanyl-1H-indol-3-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-oxo-acetamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-oxoacetamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-oxoacetamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-(2-hydroxy-5-nitro-1H-indol-3-yl)-2-keto-acetamide Formula: C21H21N5O8S MolecularWeight: 503.48514

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C(=O)C2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C21H21N5O8S/c1-2-3-10-22-21(30)25-35(33,34)14-7-4-12(5-8-14)23-20(29)18(27)17-15-11-13(26(31)32)6-9-16(15)24-19(17)28/h4-9,11,24,28H,2-3,10H2,1H3,(H,23,29)(H2,22,25,30)