N4,N4-dimethyl-N1-[2-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-N1-[2-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-[2-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-N1-[2-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-1-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-[2-(4-sulfamoylphenyl)ethyl]benzene-1,4-disulfonamide Formula: C16H21N3O6S3 MolecularWeight: 447.54944

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C16H21N3O6S3/c1-19(2)28(24,25)16-9-7-15(8-10-16)27(22,23)18-12-11-13-3-5-14(6-4-13)26(17,20)21/h3-10,18H,11-12H2,1-2H3,(H2,17,20,21)