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

Systemtic Name: methyl 2-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-2-ethyl-5-methylsulfonyl-benzoate CAS Name: 2-ethyl-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-ethyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-2-ethyl-5-mesyl-benzoic acid methyl ester Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)C)N2CCC(CC2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O6S/c1-7-14-12-17(18(30(6,26)27)13-16(14)19(24)28-5)23-10-8-15(9-11-23)22-20(25)29-21(2,3)4/h12-13,15H,7-11H2,1-6H3,(H,22,25)