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

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-diethoxy-benzenesulfonamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-diethoxy-benzenesulfonamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-diethoxybenzenesulfonamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-3,4-diethoxybenzenesulfonamide Traditional Name: 3,4-diethoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]benzenesulfonamide Formula: C20H26N3O6S2+ MolecularWeight: 468.56694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3)OCC

InChI

InChI=1S/C20H25N3O6S2/c1-3-28-18-11-10-17(14-19(18)29-4-2)30(24,25)22-15-7-5-8-16(13-15)31(26,27)23-20-9-6-12-21-20/h5,7-8,10-11,13-14,22H,3-4,6,9,12H2,1-2H3,(H,21,23)/p+1