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

Systemtic Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methyl]methanesulfonamide hydrochloride Openeye Name: N-[[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methyl]methanesulfonamide hydrochloride CAS Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methyl]methanesulfonamide hydrochloride IUPAC Name: N-[[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methyl]methanesulfonamide hydrochloride Traditional Name: N-[[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methyl]methanesulfonamide hydrochloride Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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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)CN.Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=C(C1=O)C=CC(=C2)CNS(=O)(=O)C)C3=CC=CC=C3)CN.Cl

InChI

InChI=1S/C22H27N3O3S.ClH/c1-15(2)14-25-20(12-23)21(17-7-5-4-6-8-17)19-11-16(13-24-29(3,27)28)9-10-18(19)22(25)26;/h4-11,15,24H,12-14,23H2,1-3H3;1H