5-[3-(2-methylpropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-[3-(2-methylpropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-(3-isobutylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one CAS Name: 5-[[3-(2-methylpropyl)-1-piperazinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-[3-(2-methylpropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(3-isobutylpiperazino)sulfonylisocarbostyril Formula: C17H23N3O3S MolecularWeight: 349.44782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CC(C)CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

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