1-isoquinolin-7-yl-2-(methylamino)-2-methylsulfonyl-pentan-1-one

Systemtic Name: 1-isoquinolin-7-yl-2-(methylamino)-2-methylsulfonyl-pentan-1-one Openeye Name: 1-(7-isoquinolyl)-2-(methylamino)-2-methylsulfonyl-pentan-1-one CAS Name: 1-(7-isoquinolinyl)-2-(methylamino)-2-methylsulfonyl-1-pentanone IUPAC Name: 1-isoquinolin-7-yl-2-(methylamino)-2-methylsulfonylpentan-1-one Traditional Name: 1-(7-isoquinolyl)-2-mesyl-2-(methylamino)pentan-1-one Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C1=CC2=C(C=C1)C=CN=C2)(NC)S(=O)(=O)C

Isomeric SMILES

CCCC(C(=O)C1=CC2=C(C=C1)C=CN=C2)(NC)S(=O)(=O)C

InChI

InChI=1S/C16H20N2O3S/c1-4-8-16(17-2,22(3,20)21)15(19)13-6-5-12-7-9-18-11-14(12)10-13/h5-7,9-11,17H,4,8H2,1-3H3