methyl 1-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(N-mesyl-2,5-dimethyl-anilino)butanoyl]isonipecotic acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5S/c1-15-7-8-16(2)18(14-15)22(28(4,25)26)11-5-6-19(23)21-12-9-17(10-13-21)20(24)27-3/h7-8,14,17H,5-6,9-13H2,1-4H3