N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)butanamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)butyramide Formula: C14H20N2O3S MolecularWeight: 296.3852

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C)C=C1

Isomeric SMILES

CCCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C)C=C1

InChI

InChI=1S/C14H20N2O3S/c1-3-4-14(17)15-13-6-5-11-7-8-16(20(2,18)19)10-12(11)9-13/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,15,17)