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

Systemtic Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinolin-6-yl]benzenesulfonamide Openeye Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-oxo-6-isoquinolyl]benzenesulfonamide CAS Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxo-6-isoquinolinyl]benzenesulfonamide IUPAC Name: N-[3-(aminomethyl)-4-butoxy-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]benzenesulfonamide Traditional Name: N-[3-(aminomethyl)-4-butoxy-2-isobutyl-1-keto-6-isoquinolyl]benzenesulfonamide Formula: C24H31N3O4S MolecularWeight: 457.58564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(C)C)CN

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=C1C=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)CC(C)C)CN

InChI

InChI=1S/C24H31N3O4S/c1-4-5-13-31-23-21-14-18(26-32(29,30)19-9-7-6-8-10-19)11-12-20(21)24(28)27(16-17(2)3)22(23)15-25/h6-12,14,17,26H,4-5,13,15-16,25H2,1-3H3