N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-benzothiophen-5-yl]-N-methyl-methanesulfonamide

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-benzothiophen-5-yl]-N-methyl-methanesulfonamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzothiophen-5-yl]-N-methyl-methanesulfonamide CAS Name: N-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-benzothiophen-5-yl]-N-methylmethanesulfonamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-benzothiophen-5-yl]-N-methylmethanesulfonamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzothiophen-5-yl]-N-methyl-methanesulfonamide Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)C

Isomeric SMILES

CN(C1=CC2=C(C=C1)SC(=C2)C(=O)N3CCC4=CC=CC=C4C3)S(=O)(=O)C

InChI

InChI=1S/C20H20N2O3S2/c1-21(27(2,24)25)17-7-8-18-16(11-17)12-19(26-18)20(23)22-10-9-14-5-3-4-6-15(14)13-22/h3-8,11-12H,9-10,13H2,1-2H3