N-[3-(dibutylamino)propyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide

Systemtic Name: N-[3-(dibutylamino)propyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide Openeye Name: N-[3-(dibutylamino)propyl]-1-oxo-2H-isoquinoline-5-sulfonamide CAS Name: N-[3-(dibutylamino)propyl]-1-oxo-2H-isoquinoline-5-sulfonamide IUPAC Name: N-[3-(dibutylamino)propyl]-1-oxo-2H-isoquinoline-5-sulfonamide Traditional Name: N-[3-(dibutylamino)propyl]-1-keto-2H-isoquinoline-5-sulfonamide Formula: C20H31N3O3S MolecularWeight: 393.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCCNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

Isomeric SMILES

CCCCN(CCCC)CCCNS(=O)(=O)C1=CC=CC2=C1C=CNC2=O

InChI

InChI=1S/C20H31N3O3S/c1-3-5-14-23(15-6-4-2)16-8-12-22-27(25,26)19-10-7-9-18-17(19)11-13-21-20(18)24/h7,9-11,13,22H,3-6,8,12,14-16H2,1-2H3,(H,21,24)