N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzenesulfonamide

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-ethoxyphenyl)sulfonylamino]benzenesulfonamide Traditional Name: 3-(p-phenetylsulfonylamino)-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C18H22N3O5S2+ MolecularWeight: 424.51438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O5S2/c1-2-26-15-8-10-16(11-9-15)27(22,23)20-14-5-3-6-17(13-14)28(24,25)21-18-7-4-12-19-18/h3,5-6,8-11,13,20H,2,4,7,12H2,1H3,(H,19,21)/p+1