methyl 1-[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[2-chloranyl-5-(4-methylpiperidin-1-yl)sulfonyl-phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[2-chloro-5-[(4-methyl-1-piperidyl)sulfonyl]benzoyl]piperidine-4-carboxylate CAS Name: 1-[[2-chloro-5-[(4-methyl-1-piperidinyl)sulfonyl]phenyl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-chloro-5-(4-methylpiperidin-1-yl)sulfonylbenzoyl]piperidine-4-carboxylate Traditional Name: 1-[2-chloro-5-(4-methylpiperidino)sulfonyl-benzoyl]isonipecotic acid methyl ester Formula: C20H27ClN2O5S MolecularWeight: 442.95678

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCC(CC3)C(=O)OC

InChI

InChI=1S/C20H27ClN2O5S/c1-14-5-11-23(12-6-14)29(26,27)16-3-4-18(21)17(13-16)19(24)22-9-7-15(8-10-22)20(25)28-2/h3-4,13-15H,5-12H2,1-2H3