N-butyl-N-(3-oxidanylidenebutan-2-yl)isoquinoline-5-sulfonamide

Systemtic Name: N-butyl-N-(3-oxidanylidenebutan-2-yl)isoquinoline-5-sulfonamide Openeye Name: N-butyl-N-(1-methyl-2-oxo-propyl)isoquinoline-5-sulfonamide CAS Name: N-butyl-N-(3-oxobutan-2-yl)-5-isoquinolinesulfonamide IUPAC Name: N-butyl-N-(3-oxobutan-2-yl)isoquinoline-5-sulfonamide Traditional Name: N-butyl-N-(2-keto-1-methyl-propyl)isoquinoline-5-sulfonamide Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)C(=O)C)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

Isomeric SMILES

CCCCN(C(C)C(=O)C)S(=O)(=O)C1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C17H22N2O3S/c1-4-5-11-19(13(2)14(3)20)23(21,22)17-8-6-7-15-12-18-10-9-16(15)17/h6-10,12-13H,4-5,11H2,1-3H3