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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NCCS(=O)(=O)N2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C21H26N2O5S/c1-27-19-8-7-16(13-20(19)28-2)14-21(24)22-10-12-29(25,26)23-11-9-17-5-3-4-6-18(17)15-23/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,24)