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

Systemtic Name: 5-[3-(phenethylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[[3-(phenethylamino)-1-piperidyl]sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[[3-(phenethylamino)-1-piperidinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-[3-(phenethylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-[3-(phenethylamino)piperidino]sulfonylisocarbostyril Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-22-20-9-4-10-21(19(20)12-14-24-22)29(27,28)25-15-5-8-18(16-25)23-13-11-17-6-2-1-3-7-17/h1-4,6-7,9-10,12,14,18,23H,5,8,11,13,15-16H2,(H,24,26)