N3-[3-(butylsulfamoyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-(butylsulfamoyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(butylsulfamoyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(butylsulfamoyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(butylsulfamoyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(butylsulfamoyl)phenyl]benzene-1,3-disulfonamide Formula: C16H21N3O6S3 MolecularWeight: 447.54944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N

InChI

InChI=1S/C16H21N3O6S3/c1-2-3-10-18-27(22,23)15-8-4-6-13(11-15)19-28(24,25)16-9-5-7-14(12-16)26(17,20)21/h4-9,11-12,18-19H,2-3,10H2,1H3,(H2,17,20,21)