5-methyl-4-(2-methylsulfonylethyl)isoquinoline

Systemtic Name: 5-methyl-4-(2-methylsulfonylethyl)isoquinoline Openeye Name: 5-methyl-4-(2-methylsulfonylethyl)isoquinoline CAS Name: 5-methyl-4-(2-methylsulfonylethyl)isoquinoline IUPAC Name: 5-methyl-4-(2-methylsulfonylethyl)isoquinoline Traditional Name: 4-(2-mesylethyl)-5-methyl-isoquinoline Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CN=CC(=C12)CCS(=O)(=O)C

Isomeric SMILES

CC1=CC=CC2=CN=CC(=C12)CCS(=O)(=O)C

InChI

InChI=1S/C13H15NO2S/c1-10-4-3-5-11-8-14-9-12(13(10)11)6-7-17(2,15)16/h3-5,8-9H,6-7H2,1-2H3