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

Systemtic Name: ethyl 4-[(2R)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H31N4O5S+ MolecularWeight: 427.53824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O5S/c1-5-28-19(25)23-12-10-22(11-13-23)15(4)18(24)20-16-6-8-17(9-7-16)29(26,27)21-14(2)3/h6-9,14-15,21H,5,10-13H2,1-4H3,(H,20,24)/p+1/t15-/m1/s1