5-(3-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one

Systemtic Name: 5-(3-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-(3-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one CAS Name: 5-[(3-methyl-1-piperazinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(3-methylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(3-methylpiperazino)sulfonylisocarbostyril Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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