N-(2-dimethylaminoethyl)-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide

Systemtic Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide Openeye Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide CAS Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide IUPAC Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide Traditional Name: N-(2-dimethylaminoethyl)-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide Formula: C18H25N5O6S2 MolecularWeight: 471.551

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNS(=O)(=O)C1=CC(=C(C=C1)NCCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H25N5O6S2/c1-22(2)12-11-21-31(28,29)16-7-8-17(18(13-16)23(24)25)20-10-9-14-3-5-15(6-4-14)30(19,26)27/h3-8,13,20-21H,9-12H2,1-2H3,(H2,19,26,27)