ethyl 1-[4-[[methylsulfonyl(phenyl)amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[methylsulfonyl(phenyl)amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(N-mesylanilino)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C23H28N2O5S MolecularWeight: 444.54382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5S/c1-3-30-23(27)20-13-15-24(16-14-20)22(26)19-11-9-18(10-12-19)17-25(31(2,28)29)21-7-5-4-6-8-21/h4-12,20H,3,13-17H2,1-2H3