2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)ethanamide Openeye Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide CAS Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-(3-methylsulfonylphenyl)acetamide IUPAC Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-methylsulfonylphenyl)acetamide Traditional Name: 2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(3-mesylphenyl)acetamide Formula: C21H25N2O5S+ MolecularWeight: 417.4986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCCC2C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O5S/c1-29(25,26)17-5-2-4-16(13-17)22-21(24)14-23-9-3-6-18(23)15-7-8-19-20(12-15)28-11-10-27-19/h2,4-5,7-8,12-13,18H,3,6,9-11,14H2,1H3,(H,22,24)/p+1/t18-/m1/s1