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

Systemtic Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxidanylidene-4-phenyl-isoquinolin-6-yl]methanesulfonamide hydrochloride Openeye Name: N-[3-(aminomethyl)-2-isobutyl-1-oxo-4-phenyl-6-isoquinolyl]methanesulfonamide hydrochloride CAS Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-6-isoquinolinyl]methanesulfonamide hydrochloride IUPAC Name: N-[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenylisoquinolin-6-yl]methanesulfonamide hydrochloride Traditional Name: N-[3-(aminomethyl)-2-isobutyl-1-keto-4-phenyl-6-isoquinolyl]methanesulfonamide hydrochloride Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S.ClH/c1-14(2)13-24-19(12-22)20(15-7-5-4-6-8-15)18-11-16(23-28(3,26)27)9-10-17(18)21(24)25;/h4-11,14,23H,12-13,22H2,1-3H3;1H