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

Systemtic Name: ethyl 4-[(2R)-1-[[3-(dimethylsulfamoyl)phenyl]amino]-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-[3-(dimethylsulfamoyl)anilino]-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[3-(dimethylsulfamoyl)anilino]-2-keto-1-methyl-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)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O5S/c1-5-27-18(24)22-11-9-21(10-12-22)14(2)17(23)19-15-7-6-8-16(13-15)28(25,26)20(3)4/h6-8,13-14H,5,9-12H2,1-4H3,(H,19,23)/p+1/t14-/m1/s1