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

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pentanamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)valeramide Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O3S/c1-3-4-5-15(18)16-14-7-6-12-8-9-17(21(2,19)20)11-13(12)10-14/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,16,18)