ethyl 1-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[methylsulfonyl-(4-phenoxyphenyl)amino]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(N-methylsulfonyl-4-phenoxy-anilino)propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(N-methylsulfonyl-4-phenoxyanilino)-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(N-methylsulfonyl-4-phenoxyanilino)propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-(N-mesyl-4-phenoxy-anilino)propanoyl]isonipecotic acid ethyl ester Formula: C24H30N2O6S MolecularWeight: 474.5698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)N(C2=CC=C(C=C2)OC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H30N2O6S/c1-4-31-24(28)19-14-16-25(17-15-19)23(27)18(2)26(33(3,29)30)20-10-12-22(13-11-20)32-21-8-6-5-7-9-21/h5-13,18-19H,4,14-17H2,1-3H3