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

Systemtic Name: N,N-diethyl-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide Openeye Name: N,N-diethyl-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide CAS Name: N,N-diethyl-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide IUPAC Name: N,N-diethyl-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide Traditional Name: N,N-diethyl-3-nitro-4-[2-(4-sulfamoylphenyl)ethylamino]benzenesulfonamide Formula: C18H24N4O6S2 MolecularWeight: 456.53636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O6S2/c1-3-21(4-2)30(27,28)16-9-10-17(18(13-16)22(23)24)20-12-11-14-5-7-15(8-6-14)29(19,25)26/h5-10,13,20H,3-4,11-12H2,1-2H3,(H2,19,25,26)