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

Systemtic Name: (3S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[3-(3,4-dihydro-2H-pyrrol-1-ium-5-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[3-(1-pyrrolin-1-ium-2-ylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C19H20N3O5S+ MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CC(=[NH+]C1)NS(=O)(=O)C2=CC=CC(=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C19H19N3O5S/c23-19(17-12-26-15-7-1-2-8-16(15)27-17)21-13-5-3-6-14(11-13)28(24,25)22-18-9-4-10-20-18/h1-3,5-8,11,17H,4,9-10,12H2,(H,20,22)(H,21,23)/p+1/t17-/m0/s1