N1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-N4,N4-dimethyl-benzene-1,4-disulfonamide

Systemtic Name: N1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-N4,N4-dimethyl-benzene-1,4-disulfonamide Openeye Name: N1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-N4,N4-dimethyl-benzene-1,4-disulfonamide CAS Name: N1-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-N4,N4-dimethylbenzene-1,4-disulfonamide IUPAC Name: 1-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-4-N,4-N-dimethylbenzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzene-1,4-disulfonamide Formula: C18H23N4O6S3+ MolecularWeight: 487.59342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C18H22N4O6S3/c1-22(2)31(27,28)16-10-8-15(9-11-16)29(23,24)20-14-5-3-6-17(13-14)30(25,26)21-18-7-4-12-19-18/h3,5-6,8-11,13,20H,4,7,12H2,1-2H3,(H,19,21)/p+1