ethyl 1-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoyl]piperidine-4-carboxylate CAS Name: 1-[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(N-mesyl-3,4-dimethyl-anilino)butanoyl]isonipecotic acid ethyl ester Formula: C21H32N2O5S MolecularWeight: 424.55418

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CCCN(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

InChI=1S/C21H32N2O5S/c1-5-28-21(25)18-10-13-22(14-11-18)20(24)7-6-12-23(29(4,26)27)19-9-8-16(2)17(3)15-19/h8-9,15,18H,5-7,10-14H2,1-4H3