ethyl (3S)-1-[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[[4-methyl-3-(methylsulfamoyl)phenyl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-[4-methyl-3-(methylsulfamoyl)anilino]ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H28N3O5S+ MolecularWeight: 398.49702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)NC

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=C(C=C2)C)S(=O)(=O)NC

InChI

InChI=1S/C18H27N3O5S/c1-4-26-18(23)14-6-5-9-21(11-14)12-17(22)20-15-8-7-13(2)16(10-15)27(24,25)19-3/h7-8,10,14,19H,4-6,9,11-12H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1