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

Systemtic Name: ethyl 1-[(2R)-1-oxidanylidene-1-[[4-(propan-2-ylsulfamoyl)phenyl]amino]propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(1R)-2-[4-(isopropylsulfamoyl)anilino]-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2R)-1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1R)-2-[4-(isopropylsulfamoyl)anilino]-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5S/c1-5-28-20(25)16-10-12-23(13-11-16)15(4)19(24)21-17-6-8-18(9-7-17)29(26,27)22-14(2)3/h6-9,14-16,22H,5,10-13H2,1-4H3,(H,21,24)/p+1/t15-/m1/s1