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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(4-methoxyphenyl)propanamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(4-methoxyphenyl)propanamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(4-methoxyphenyl)propanamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(4-methoxyphenyl)propanamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)ethyl]-3-(4-methoxyphenyl)propionamide Formula: C21H26N2O4S MolecularWeight: 402.50714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-27-20-9-6-17(7-10-20)8-11-21(24)22-13-15-28(25,26)23-14-12-18-4-2-3-5-19(18)16-23/h2-7,9-10H,8,11-16H2,1H3,(H,22,24)