3-(4-methylsulfonylpiperazin-1-yl)-2H-isoquinolin-1-one

Systemtic Name: 3-(4-methylsulfonylpiperazin-1-yl)-2H-isoquinolin-1-one Openeye Name: 3-(4-methylsulfonylpiperazin-1-yl)-2H-isoquinolin-1-one CAS Name: 3-(4-methylsulfonyl-1-piperazinyl)-2H-isoquinolin-1-one IUPAC Name: 3-(4-methylsulfonylpiperazin-1-yl)-2H-isoquinolin-1-one Traditional Name: 3-(4-mesylpiperazino)isocarbostyril Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=CC3=CC=CC=C3C(=O)N2

InChI

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