N,N-diethyl-3-nitro-4-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide

Systemtic Name: N,N-diethyl-3-nitro-4-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[(4-sulfamoylphenyl)methylamino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[(4-sulfamoylbenzyl)amino]benzenesulfonamide Formula: C17H22N4O6S2 MolecularWeight: 442.50978

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)NCC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O6S2/c1-3-20(4-2)29(26,27)15-9-10-16(17(11-15)21(22)23)19-12-13-5-7-14(8-6-13)28(18,24)25/h5-11,19H,3-4,12H2,1-2H3,(H2,18,24,25)