4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzamide IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c26-22(23-10-3-13-25-11-1-2-12-25)17-4-6-18(7-5-17)24-31(27,28)19-8-9-20-21(16-19)30-15-14-29-20/h4-9,16,24H,1-3,10-15H2,(H,23,26)/p+1