ethyl (3R)-1-[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[2-[[3-(diethylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[2-[3-(diethylsulfamoyl)anilino]-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H32N3O5S+ MolecularWeight: 426.55018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C(=O)OCC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(=O)OCC

InChI

InChI=1S/C20H31N3O5S/c1-4-23(5-2)29(26,27)18-11-7-10-17(13-18)21-19(24)15-22-12-8-9-16(14-22)20(25)28-6-3/h7,10-11,13,16H,4-6,8-9,12,14-15H2,1-3H3,(H,21,24)/p+1/t16-/m1/s1