2-(2,3-dimethylphenoxy)-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]ethanamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3-dimethylphenoxy)acetamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3-dimethylphenoxy)acetamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-(2,3-dimethylphenoxy)acetamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-(2,3-dimethylphenoxy)acetamide Formula: C25H26N2O4S MolecularWeight: 450.54994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)C=C2)C

InChI

InChI=1S/C25H26N2O4S/c1-18-7-6-10-24(19(18)2)31-17-25(28)26-22-12-11-20-13-14-27(16-21(20)15-22)32(29,30)23-8-4-3-5-9-23/h3-12,15H,13-14,16-17H2,1-2H3,(H,26,28)