methyl 1-[2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(2,3-dimethylphenyl)-methylsulfonyl-amino]ethanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(2,3-dimethyl-N-methylsulfonyl-anilino)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(2,3-dimethyl-N-methylsulfonylanilino)-1-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(2,3-dimethyl-N-methylsulfonylanilino)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-2,3-dimethyl-anilino)acetyl]isonipecotic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5S/c1-13-6-5-7-16(14(13)2)20(26(4,23)24)12-17(21)19-10-8-15(9-11-19)18(22)25-3/h5-7,15H,8-12H2,1-4H3