N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(methylsulfamoyl)benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(methylsulfamoyl)benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(methylsulfamoyl)benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(methylsulfamoyl)benzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(methylsulfamoyl)benzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(methylsulfamoyl)benzamide Formula: C21H28N3O4S+ MolecularWeight: 418.52972

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCC3

Isomeric SMILES

CNS(=O)(=O)C1=CC=C(C=C1)C(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCC3

InChI

InChI=1S/C21H27N3O4S/c1-22-29(26,27)19-11-7-17(8-12-19)21(25)23-15-20(24-13-3-4-14-24)16-5-9-18(28-2)10-6-16/h5-12,20,22H,3-4,13-15H2,1-2H3,(H,23,25)/p+1/t20-/m0/s1