2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl)ethanamide

Systemtic Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonyl-ethyl)ethanamide Openeye Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-[2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]acetamide CAS Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-[2-(3-pyridinyl)-2-thiophen-2-ylsulfonylethyl]acetamide IUPAC Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-(2-pyridin-3-yl-2-thiophen-2-ylsulfonylethyl)acetamide Traditional Name: 2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-N-[2-(3-pyridyl)-2-(2-thienylsulfonyl)ethyl]acetamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(=O)NCC(C3=CN=CC=C3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C(=O)NCC(C3=CN=CC=C3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H21N3O4S2/c26-21(22(27)25-11-9-16-5-1-2-6-18(16)15-25)24-14-19(17-7-3-10-23-13-17)31(28,29)20-8-4-12-30-20/h1-8,10,12-13,19H,9,11,14-15H2,(H,24,26)