tert-butyl N-[[2-(2-methylpropyl)-6-(methylsulfonylaminomethyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate

Systemtic Name: tert-butyl N-[[2-(2-methylpropyl)-6-(methylsulfonylaminomethyl)-1-oxidanylidene-4-phenyl-isoquinolin-3-yl]methyl]carbamate Openeye Name: tert-butyl N-[[2-isobutyl-6-(methanesulfonamidomethyl)-1-oxo-4-phenyl-3-isoquinolyl]methyl]carbamate CAS Name: N-[[6-(methanesulfonamidomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-3-isoquinolinyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[6-(methanesulfonamidomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-3-yl]methyl]carbamate Traditional Name: N-[[2-isobutyl-1-keto-6-(methanesulfonamidomethyl)-4-phenyl-3-isoquinolyl]methyl]carbamic acid tert-butyl ester Formula: C27H35N3O5S MolecularWeight: 513.6489

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H35N3O5S/c1-18(2)17-30-23(16-28-26(32)35-27(3,4)5)24(20-10-8-7-9-11-20)22-14-19(15-29-36(6,33)34)12-13-21(22)25(30)31/h7-14,18,29H,15-17H2,1-6H3,(H,28,32)