ethyl 1-[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[2-chloranyl-5-(dimethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[2-chloro-5-(dimethylsulfamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H27ClN3O5S+ MolecularWeight: 432.94208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)N(C)C)Cl

InChI

InChI=1S/C18H26ClN3O5S/c1-4-27-18(24)13-7-9-22(10-8-13)12-17(23)20-16-11-14(5-6-15(16)19)28(25,26)21(2)3/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,20,23)/p+1