2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-oxidanylidene-ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonyl-ethyl]-2-oxidanylidene-ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-oxo-acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxoacetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-2-oxoacetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(3,4-dimethoxyphenyl)-2-(2-thienylsulfonyl)ethyl]-2-keto-acetamide Formula: C25H26N2O6S2 MolecularWeight: 514.61374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CNC(=O)C(=O)N2CCC3=CC=CC=C3C2)S(=O)(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H26N2O6S2/c1-32-20-10-9-18(14-21(20)33-2)22(35(30,31)23-8-5-13-34-23)15-26-24(28)25(29)27-12-11-17-6-3-4-7-19(17)16-27/h3-10,13-14,22H,11-12,15-16H2,1-2H3,(H,26,28)