ethyl 1-[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[(3-methylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[4-[(3-methyl-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3-methyl-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(3-methyl-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(N-mesyl-3-methyl-anilino)methyl]benzoyl]isonipecotic acid ethyl ester Formula: C24H30N2O5S MolecularWeight: 458.5704

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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)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5S/c1-4-31-24(28)21-12-14-25(15-13-21)23(27)20-10-8-19(9-11-20)17-26(32(3,29)30)22-7-5-6-18(2)16-22/h5-11,16,21H,4,12-15,17H2,1-3H3