N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[5-(diethylsulfamoyl)-2-(propylamino)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H28N4O6S2 MolecularWeight: 484.58952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O6S2/c1-5-12-21-18-11-10-17(32(29,30)23(6-2)7-3)13-19(18)22-31(27,28)16-9-8-15(4)20(14-16)24(25)26/h8-11,13-14,21-22H,5-7,12H2,1-4H3