N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxidanylidene-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperidin-1-ium-4-carboxamide Formula: C23H29N4O6S+ MolecularWeight: 489.56456

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1C[NH+](CCC1C(=O)NC2=CC3=C(C=C2)OCO3)CC(=O)NCCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H28N4O6S/c24-34(30,31)19-4-1-16(2-5-19)7-10-25-22(28)14-27-11-8-17(9-12-27)23(29)26-18-3-6-20-21(13-18)33-15-32-20/h1-6,13,17H,7-12,14-15H2,(H,25,28)(H,26,29)(H2,24,30,31)/p+1