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

Systemtic Name: methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-methylsulfonyl-benzoate Openeye Name: methyl 3-[4-(tert-butoxycarbonylamino)-1-piperidyl]-4-methylsulfonyl-benzoate CAS Name: 3-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-4-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-methylsulfonylbenzoate Traditional Name: 3-[4-(tert-butoxycarbonylamino)piperidino]-4-mesyl-benzoic acid methyl ester Formula: C19H28N2O6S MolecularWeight: 412.50042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O6S/c1-19(2,3)27-18(23)20-14-8-10-21(11-9-14)15-12-13(17(22)26-4)6-7-16(15)28(5,24)25/h6-7,12,14H,8-11H2,1-5H3,(H,20,23)