4-[(4-aminophenyl)-(diethylsulfamoyl)amino]-N-(4-methylphenyl)sulfonyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(4-aminophenyl)-(diethylsulfamoyl)amino]-N-(4-methylphenyl)sulfonyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-amino-N-(diethylsulfamoyl)anilino]-3-nitro-N-(p-tolylsulfonyl)benzenesulfonamide CAS Name: 4-[4-amino-N-(diethylsulfamoyl)anilino]-N-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-amino-N-(diethylsulfamoyl)anilino]-N-(4-methylphenyl)sulfonyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-amino-N-(diethylsulfamoyl)anilino]-3-nitro-N-tosyl-benzenesulfonamide Formula: C23H27N5O8S3 MolecularWeight: 597.68418

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N(C1=CC=C(C=C1)N)C2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)N(C1=CC=C(C=C1)N)C2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O8S3/c1-4-26(5-2)39(35,36)27(19-10-8-18(24)9-11-19)22-15-14-21(16-23(22)28(29)30)38(33,34)25-37(31,32)20-12-6-17(3)7-13-20/h6-16,25H,4-5,24H2,1-3H3