4-[(3R)-3-methyl-4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 4-[(3R)-3-methyl-4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one Openeye Name: 4-[(3R)-3-methyl-4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one CAS Name: 4-[[(3R)-3-methyl-4-(1-methylcyclopropyl)-1-piperazinyl]sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 4-[(3R)-3-methyl-4-(1-methylcyclopropyl)piperazin-1-yl]sulfonyl-2H-isoquinolin-1-one Traditional Name: 4-[(3R)-3-methyl-4-(1-methylcyclopropyl)piperazino]sulfonylisocarbostyril Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2(CC2)C)S(=O)(=O)C3=CNC(=O)C4=CC=CC=C43

Isomeric SMILES

C[C@@H]1CN(CCN1C2(CC2)C)S(=O)(=O)C3=CNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C18H23N3O3S/c1-13-12-20(9-10-21(13)18(2)7-8-18)25(23,24)16-11-19-17(22)15-6-4-3-5-14(15)16/h3-6,11,13H,7-10,12H2,1-2H3,(H,19,22)/t13-/m1/s1