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

Systemtic Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide Openeye Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide CAS Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide IUPAC Name: N-(3,4-dihydro-2H-pyrrol-1-ium-5-yl)-3-[(4-methoxyphenyl)sulfonylamino]benzenesulfonamide Traditional Name: 3-[(4-methoxyphenyl)sulfonylamino]-N-(1-pyrrolin-1-ium-2-yl)benzenesulfonamide Formula: C17H20N3O5S2+ MolecularWeight: 410.4878

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=[NH+]CCC3

InChI

InChI=1S/C17H19N3O5S2/c1-25-14-7-9-15(10-8-14)26(21,22)19-13-4-2-5-16(12-13)27(23,24)20-17-6-3-11-18-17/h2,4-5,7-10,12,19H,3,6,11H2,1H3,(H,18,20)/p+1