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

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)propyl]-2-(3-methylphenoxy)acetamide Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NCCCS(=O)(=O)N2CCC3=CC=CC=C3C2

InChI

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