methyl 1-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[2-[(2-methylsulfonylphenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[2-(2-methylsulfonylanilino)-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[2-(2-methylsulfonylanilino)-2-oxoethyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2-methylsulfonylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[2-keto-2-(2-mesylanilino)ethyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H23N2O5S+ MolecularWeight: 355.42922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2S(=O)(=O)C

InChI

InChI=1S/C16H22N2O5S/c1-23-16(20)12-7-9-18(10-8-12)11-15(19)17-13-5-3-4-6-14(13)24(2,21)22/h3-6,12H,7-11H2,1-2H3,(H,17,19)/p+1