2-methoxy-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-5-methylsulfonyl-benzoic acid

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

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)OC)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1CCN(CC1)C2=C(C=C(C(=C2)OC)C(=O)O)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(27-4)13(17(22)23)10-16(14)29(5,25)26/h10-12H,6-9H2,1-5H3,(H,20,24)(H,22,23)