4-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methyl-benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methyl-benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methyl-benzenesulfonamide CAS Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3-methylbenzenesulfonamide Traditional Name: 4-bromo-3-methyl-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C17H19BrN3O4S2+ MolecularWeight: 473.38446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)Br

InChI

InChI=1S/C17H18BrN3O4S2/c1-12-10-15(7-8-16(12)18)26(22,23)20-13-4-2-5-14(11-13)27(24,25)21-17-6-3-9-19-17/h2,4-5,7-8,10-11,20H,3,6,9H2,1H3,(H,19,21)/p+1