N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-N-methylsulfonyl-methanesulfonamide

Systemtic Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]-N-methylsulfonyl-methanesulfonamide Openeye Name: N-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]-N-methylsulfonyl-methanesulfonamide CAS Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]-N-methylsulfonylmethanesulfonamide IUPAC Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]-N-methylsulfonylmethanesulfonamide Traditional Name: N-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]-N-mesyl-methanesulfonamide Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)N(S(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)CN

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)N(S(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)CN

InChI

InChI=1S/C22H27N3O5S2/c1-15(2)14-24-20(13-23)21(16-8-6-5-7-9-16)19-12-17(10-11-18(19)22(24)26)25(31(3,27)28)32(4,29)30/h5-12,15H,13-14,23H2,1-4H3