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

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

Systemtic Name:3-[3-(dibutylamino)propyl]-1-oxidanylidene-2H-isoquinoline-5-sulfonamide
Openeye Name:3-[3-(dibutylamino)propyl]-1-oxo-2H-isoquinoline-5-sulfonamide
CAS Name:3-[3-(dibutylamino)propyl]-1-oxo-2H-isoquinoline-5-sulfonamide
IUPAC Name:3-[3-(dibutylamino)propyl]-1-oxo-2H-isoquinoline-5-sulfonamide
Traditional Name:3-[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)CCCC1=CC2=C(C=CC=C2S(=O)(=O)N)C(=O)N1


Isomeric SMILES

CCCCN(CCCC)CCCC1=CC2=C(C=CC=C2S(=O)(=O)N)C(=O)N1


InChI

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


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