methyl 3-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoate

Systemtic Name: methyl 3-chloranyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-3-chloro-5-methylsulfonyl-benzoate CAS Name: 3-chloro-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-chloro-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-3-chloro-5-mesyl-benzoic acid methyl ester Formula: C19H27ClN2O6S MolecularWeight: 446.94548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2Cl)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C=C2Cl)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C19H27ClN2O6S/c1-19(2,3)28-18(24)21-13-6-8-22(9-7-13)16-14(20)10-12(17(23)27-4)11-15(16)29(5,25)26/h10-11,13H,6-9H2,1-5H3,(H,21,24)