methyl 1-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[(4-methylphenyl)-methylsulfonyl-amino]propanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(4-methyl-N-methylsulfonyl-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-methyl-N-methylsulfonylanilino)-1-oxopropyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(4-methyl-N-methylsulfonylanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-4-methyl-anilino)propanoyl]isonipecotic acid methyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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