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

Systemtic Name: methyl 1-[4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(4-chlorobenzyl)-mesyl-amino]benzoyl]isonipecotic acid methyl ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H25ClN2O5S/c1-30-22(27)18-11-13-24(14-12-18)21(26)17-5-9-20(10-6-17)25(31(2,28)29)15-16-3-7-19(23)8-4-16/h3-10,18H,11-15H2,1-2H3