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

Systemtic Name: ethyl 1-[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl]piperidine-3-carboxylate CAS Name: 1-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl]piperidine-3-carboxylate Traditional Name: 1-[2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl]nipecotic acid ethyl ester Formula: C17H23ClN2O5S MolecularWeight: 402.89292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(=O)NC2=C(C=CC(=C2)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(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)