ethyl (3S)-1-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C17H24ClN2O5S+ MolecularWeight: 403.90086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN2O5S/c1-3-25-17(22)12-5-4-8-20(10-12)11-16(21)19-15-9-13(26(2,23)24)6-7-14(15)18/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,19,21)/p+1/t12-/m0/s1