5-(4-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-(4-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-(4-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one CAS Name: 5-[(4-methyl-1-piperazinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(4-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(4-methylpiperazino)sulfonylisocarbostyril Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C14H17N3O3S/c1-16-7-9-17(10-8-16)21(19,20)13-4-2-3-12-11(13)5-6-15-14(12)18/h2-6H,7-10H2,1H3,(H,15,18)