N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(dimethylsulfamoyl)benzamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(dimethylsulfamoyl)benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(dimethylsulfamoyl)benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(dimethylsulfamoyl)benzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(dimethylsulfamoyl)benzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(dimethylsulfamoyl)benzamide Formula: C22H28N3O5S+ MolecularWeight: 446.53982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C22H27N3O5S/c1-24(2)31(27,28)18-8-5-16(6-9-18)22(26)23-14-19(25-11-3-4-12-25)17-7-10-20-21(13-17)30-15-29-20/h5-10,13,19H,3-4,11-12,14-15H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1