(2S)-1-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonyl-N-(1-cyclopropylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[2-chloranyl-5-(dimethylsulfamoyl)phenyl]carbonyl-N-(1-cyclopropylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-(1-cyclopropylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-[[2-chloro-5-(dimethylsulfamoyl)phenyl]-oxomethyl]-N-(1-cyclopropyl-4-piperidin-1-iumyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-(1-cyclopropylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-1-[2-chloro-5-(dimethylsulfamoyl)benzoyl]-N-(1-cyclopropylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Formula: C22H32ClN4O4S+ MolecularWeight: 484.03188

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCCC2C(=O)NC3CC[NH+](CC3)C4CC4

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)N2CCC[C@H]2C(=O)NC3CC[NH+](CC3)C4CC4

InChI

InChI=1S/C22H31ClN4O4S/c1-25(2)32(30,31)17-7-8-19(23)18(14-17)22(29)27-11-3-4-20(27)21(28)24-15-9-12-26(13-10-15)16-5-6-16/h7-8,14-16,20H,3-6,9-13H2,1-2H3,(H,24,28)/p+1/t20-/m0/s1