(3S)-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-[4-[3-(4-morpholin-4-iumyl)propylsulfamoyl]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-[4-(3-morpholin-4-ium-4-ylpropylsulfamoyl)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1COCC[NH+]1CCCNS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H27N3O6S/c26-22(21-16-30-19-4-1-2-5-20(19)31-21)24-17-6-8-18(9-7-17)32(27,28)23-10-3-11-25-12-14-29-15-13-25/h1-2,4-9,21,23H,3,10-16H2,(H,24,26)/p+1/t21-/m0/s1