N-[2-(butylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-[2-(butylamino)ethyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-[2-(butylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-[2-(butylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-[2-(butylamino)ethyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-[2-(butylamino)ethyl]-1-keto-2H-isoquinoline-5-sulfonamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

Isomeric SMILES

CCCCNCCNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

InChI

InChI=1S/C15H21N3O3S/c1-2-3-8-16-10-11-18-22(20,21)14-6-4-5-13-12(14)7-9-17-15(13)19/h4-7,9,16,18H,2-3,8,10-11H2,1H3,(H,17,19)