N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pentanamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)valeramide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCC(=O)NC1=CC2=C(CCN(C2)S(=O)(=O)C3=CC=CC=C3)C=C1

InChI

InChI=1S/C20H24N2O3S/c1-2-3-9-20(23)21-18-11-10-16-12-13-22(15-17(16)14-18)26(24,25)19-7-5-4-6-8-19/h4-8,10-11,14H,2-3,9,12-13,15H2,1H3,(H,21,23)