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

Systemtic Name: ethyl 4-[2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H29N4O5S+ MolecularWeight: 413.51166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)N(C)C

InChI

InChI=1S/C18H28N4O5S/c1-5-27-18(24)22-10-8-21(9-11-22)13-17(23)19-15-7-6-14(2)16(12-15)28(25,26)20(3)4/h6-7,12H,5,8-11,13H2,1-4H3,(H,19,23)/p+1