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

Systemtic Name: N3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(1-pyrrolin-2-ylsulfamoyl)phenyl]benzene-1,3-disulfonamide Formula: C16H18N4O6S3 MolecularWeight: 458.53232

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1CC(=NC1)NS(=O)(=O)C2=CC=CC(=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

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