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

Systemtic Name: 5-(3-ethylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one Openeye Name: 5-(3-ethylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one CAS Name: 5-[(3-ethyl-1-piperazinyl)sulfonyl]-2H-isoquinolin-1-one IUPAC Name: 5-(3-ethylpiperazin-1-yl)sulfonyl-2H-isoquinolin-1-one Traditional Name: 5-(3-ethylpiperazino)sulfonylisocarbostyril Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

Isomeric SMILES

CCC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CNC3=O

InChI

InChI=1S/C15H19N3O3S/c1-2-11-10-18(9-8-16-11)22(20,21)14-5-3-4-13-12(14)6-7-17-15(13)19/h3-7,11,16H,2,8-10H2,1H3,(H,17,19)