N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-sulfonamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-sulfonamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-sulfonamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-thiophenesulfonamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]thiophene-2-sulfonamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]thiophene-2-sulfonamide Formula: C17H21N2O4S2+ MolecularWeight: 381.48964

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNS(=O)(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNS(=O)(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H20N2O4S2/c20-25(21,17-4-3-9-24-17)18-11-14(19-7-1-2-8-19)13-5-6-15-16(10-13)23-12-22-15/h3-6,9-10,14,18H,1-2,7-8,11-12H2/p+1/t14-/m0/s1