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

Systemtic Name: 2-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-N-(3-pyridyl)acetamide CAS Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-1-yl]-N-pyridin-3-ylacetamide Traditional Name: 2-(2-besyl-3,4-dihydro-1H-isoquinolin-1-yl)-N-(3-pyridyl)acetamide Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)CC(=O)NC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)CC(=O)NC3=CN=CC=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O3S/c26-22(24-18-8-6-13-23-16-18)15-21-20-11-5-4-7-17(20)12-14-25(21)29(27,28)19-9-2-1-3-10-19/h1-11,13,16,21H,12,14-15H2,(H,24,26)