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

Systemtic Name: methyl 2-cyano-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoate Openeye Name: methyl 4-[4-(tert-butoxycarbonylamino)-1-piperidyl]-2-cyano-5-methylsulfonyl-benzoate CAS Name: 2-cyano-4-[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-piperidinyl]-5-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-cyano-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonylbenzoate Traditional Name: 4-[4-(tert-butoxycarbonylamino)piperidino]-2-cyano-5-mesyl-benzoic acid methyl ester Formula: C20H27N3O6S MolecularWeight: 437.50988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O6S/c1-20(2,3)29-19(25)22-14-6-8-23(9-7-14)16-10-13(12-21)15(18(24)28-4)11-17(16)30(5,26)27/h10-11,14H,6-9H2,1-5H3,(H,22,25)