N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C20H22N3O6S+ MolecularWeight: 432.47018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)NC4=[NH+]CCC4

InChI

InChI=1S/C20H21N3O6S/c1-27-16-10-13(11-17-19(16)29-9-8-28-17)20(24)22-14-4-2-5-15(12-14)30(25,26)23-18-6-3-7-21-18/h2,4-5,10-12H,3,6-9H2,1H3,(H,21,23)(H,22,24)/p+1