[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl methanesulfonate

Systemtic Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl methanesulfonate Openeye Name: [3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methyl ester IUPAC Name: [3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [3-[(tert-butoxycarbonylamino)methyl]-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl ester Formula: C27H34N2O6S MolecularWeight: 514.63366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)COS(=O)(=O)C)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)COS(=O)(=O)C)C3=CC=CC=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C27H34N2O6S/c1-18(2)16-29-23(15-28-26(31)35-27(3,4)5)24(20-10-8-7-9-11-20)22-14-19(17-34-36(6,32)33)12-13-21(22)25(29)30/h7-14,18H,15-17H2,1-6H3,(H,28,31)