methyl 1-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoyl]isonipecotic acid methyl ester Formula: C18H25ClN2O5S MolecularWeight: 416.9195

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(C(C)C(=O)N2CCC(CC2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C18H25ClN2O5S/c1-12-5-6-15(19)11-16(12)21(27(4,24)25)13(2)17(22)20-9-7-14(8-10-20)18(23)26-3/h5-6,11,13-14H,7-10H2,1-4H3