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

Systemtic Name: methyl 4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-2-oxidanyl-benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-2-hydroxy-5-methylsulfonyl-benzoate CAS Name: 2-hydroxy-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-hydroxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-2-hydroxy-5-mesyl-benzoic acid methyl ester Formula: C19H28N2O7S MolecularWeight: 428.49982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O7S/c1-19(2,3)28-18(24)20-12-6-8-21(9-7-12)14-11-15(22)13(17(23)27-4)10-16(14)29(5,25)26/h10-12,22H,6-9H2,1-5H3,(H,20,24)