N-heptan-2-yl-4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide

Systemtic Name: N-heptan-2-yl-4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]benzamide Openeye Name: 4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-(1-methylhexyl)benzamide CAS Name: N-heptan-2-yl-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide IUPAC Name: N-heptan-2-yl-4-[(2-methoxy-5-nitrophenyl)sulfamoyl]benzamide Traditional Name: 4-[(2-methoxy-5-nitro-phenyl)sulfamoyl]-N-(1-methylhexyl)benzamide Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCC(C)NC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H27N3O6S/c1-4-5-6-7-15(2)22-21(25)16-8-11-18(12-9-16)31(28,29)23-19-14-17(24(26)27)10-13-20(19)30-3/h8-15,23H,4-7H2,1-3H3,(H,22,25)