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

Systemtic Name: 2-(4-fluorophenyl)sulfanyl-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[(4-fluorophenyl)thio]acetamide Formula: C23H21FN2O3S2 MolecularWeight: 456.552843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)CSC3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H21FN2O3S2/c24-19-7-10-21(11-8-19)30-16-23(27)25-20-9-6-17-12-13-26(15-18(17)14-20)31(28,29)22-4-2-1-3-5-22/h1-11,14H,12-13,15-16H2,(H,25,27)