N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonyl-ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethanamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-acetamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)-2-thiophen-2-ylsulfonylethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide Traditional Name: N-[2-(1,3-benzodioxol-5-yl)-2-(2-thienylsulfonyl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-acetamide Formula: C24H22N2O6S2 MolecularWeight: 498.57128

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(=O)NCC(C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C(=O)NCC(C3=CC4=C(C=C3)OCO4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H22N2O6S2/c27-23(24(28)26-10-9-16-4-1-2-5-18(16)14-26)25-13-21(34(29,30)22-6-3-11-33-22)17-7-8-19-20(12-17)32-15-31-19/h1-8,11-12,21H,9-10,13-15H2,(H,25,27)