2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoylphenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[2-(propylamino)-5-sulfamoyl-phenyl]benzenesulfonamide Formula: C16H20N4O6S2 MolecularWeight: 428.4832

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O6S2/c1-3-8-18-14-7-6-13(27(17,23)24)10-15(14)19-28(25,26)16-9-12(20(21)22)5-4-11(16)2/h4-7,9-10,18-19H,3,8H2,1-2H3,(H2,17,23,24)