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

Systemtic Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]methanesulfonamide Openeye Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]methanesulfonamide CAS Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]methanesulfonamide IUPAC Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]methanesulfonamide Traditional Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]methanesulfonamide Formula: C19H29N3O4S MolecularWeight: 395.51626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C)CC(C)C)CN

InChI

InChI=1S/C19H29N3O4S/c1-5-6-9-26-18-16-10-14(21-27(4,24)25)7-8-15(16)19(23)22(12-13(2)3)17(18)11-20/h7-8,10,13,21H,5-6,9,11-12,20H2,1-4H3