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

Systemtic Name: 4-isoquinolin-7-yl-2-(methylamino)-1-methylsulfonyl-pentan-1-one hydrochloride Openeye Name: 4-(7-isoquinolyl)-2-(methylamino)-1-methylsulfonyl-pentan-1-one hydrochloride CAS Name: 4-(7-isoquinolinyl)-2-(methylamino)-1-methylsulfonyl-1-pentanone hydrochloride IUPAC Name: 4-isoquinolin-7-yl-2-(methylamino)-1-methylsulfonylpentan-1-one hydrochloride Traditional Name: 4-(7-isoquinolyl)-1-mesyl-2-(methylamino)pentan-1-one hydrochloride Formula: C16H21ClN2O3S MolecularWeight: 356.86754

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)S(=O)(=O)C)NC)C1=CC2=C(C=C1)C=CN=C2.Cl

Isomeric SMILES

CC(CC(C(=O)S(=O)(=O)C)NC)C1=CC2=C(C=C1)C=CN=C2.Cl

InChI

InChI=1S/C16H20N2O3S.ClH/c1-11(8-15(17-2)16(19)22(3,20)21)13-5-4-12-6-7-18-10-14(12)9-13;/h4-7,9-11,15,17H,8H2,1-3H3;1H