methyl 1-[4-[[(3,4-dimethylphenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)S(=O)(=O)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CC2=CC=C(C=C2)C(=O)N3CCC(CC3)C(=O)OC)S(=O)(=O)C)C

InChI

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