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

Systemtic Name: methyl 1-[4-[[(3-chlorophenyl)-methylsulfonyl-amino]methyl]phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-[(3-chloro-N-methylsulfonyl-anilino)methyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[4-[(3-chloro-N-methylsulfonylanilino)methyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[(3-chloro-N-methylsulfonylanilino)methyl]benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[(3-chloro-N-mesyl-anilino)methyl]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)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

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