5-[4-(propylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-[4-(propylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-[[4-(propylamino)-1-piperidyl]sulfonyl]-2H-isoquinolin-1-one CAS Name: 5-[[4-(propylamino)-1-piperidinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-[4-(propylamino)piperidin-1-yl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-[4-(propylamino)piperidino]sulfonylisocarbostyril Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CCCNC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C17H23N3O3S/c1-2-9-18-13-7-11-20(12-8-13)24(22,23)16-5-3-4-15-14(16)6-10-19-17(15)21/h3-6,10,13,18H,2,7-9,11-12H2,1H3,(H,19,21)