5-[3-(hexylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-[3-(hexylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[[3-(hexylamino)-1-piperidyl]sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[[3-(hexylamino)-1-piperidinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-[3-(hexylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-[3-(hexylamino)piperidino]sulfonylisocarbostyril Formula: C20H29N3O3S MolecularWeight: 391.52756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CCCCCCNC1CCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C20H29N3O3S/c1-2-3-4-5-12-21-16-8-7-14-23(15-16)27(25,26)19-10-6-9-18-17(19)11-13-22-20(18)24/h6,9-11,13,16,21H,2-5,7-8,12,14-15H2,1H3,(H,22,24)