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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3,4-dimethoxyphenyl)ethanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3,4-dimethoxyphenyl)acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3,4-dimethoxyphenyl)acetamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3,4-dimethoxyphenyl)acetamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3,4-dimethoxyphenyl)acetamide Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-28-20-9-8-17(14-21(20)29-2)15-22(25)23-11-5-13-30(26,27)24-12-10-18-6-3-4-7-19(18)16-24/h3-4,6-9,14H,5,10-13,15-16H2,1-2H3,(H,23,25)