ethyl 1-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C19H30N3O5S+ MolecularWeight: 412.5236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-5-27-19(24)15-8-10-22(11-9-15)13-18(23)20-16-7-6-14(2)17(12-16)28(25,26)21(3)4/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,20,23)/p+1