N3-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[4-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[4-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Formula: C16H19N4O6S3+ MolecularWeight: 459.54026

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C16H18N4O6S3/c17-27(21,22)14-3-1-4-15(11-14)29(25,26)19-12-6-8-13(9-7-12)28(23,24)20-16-5-2-10-18-16/h1,3-4,6-9,11,19H,2,5,10H2,(H,18,20)(H2,17,21,22)/p+1