4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-2-(2-furanyl)-2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ium-1-ylethyl]benzamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[(2S)-2-(2-furyl)-2-pyrrolidin-1-ium-1-yl-ethyl]benzamide Formula: C25H28N3O6S+ MolecularWeight: 498.57132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CO5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4)C5=CC=CO5

InChI

InChI=1S/C25H27N3O6S/c29-25(26-17-21(22-4-3-13-32-22)28-11-1-2-12-28)18-5-7-19(8-6-18)27-35(30,31)20-9-10-23-24(16-20)34-15-14-33-23/h3-10,13,16,21,27H,1-2,11-12,14-15,17H2,(H,26,29)/p+1/t21-/m0/s1