3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]thiophene-2-carboxamide

Systemtic Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]thiophene-2-carboxamide Openeye Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]thiophene-2-carboxamide CAS Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[2-(2-pyridinyl)ethynyl]phenyl]-2-thiophenecarboxamide IUPAC Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-(2-pyridin-2-ylethynyl)phenyl]thiophene-2-carboxamide Traditional Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-N-[3-[2-(2-pyridyl)ethynyl]phenyl]thiophene-2-carboxamide Formula: C27H21N3O3S2 MolecularWeight: 499.60394

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC=CC(=C4)C#CC5=CC=CC=N5

InChI

InChI=1S/C27H21N3O3S2/c31-27(29-24-10-5-6-20(18-24)11-12-23-9-3-4-15-28-23)26-25(14-17-34-26)35(32,33)30-16-13-21-7-1-2-8-22(21)19-30/h1-10,14-15,17-18H,13,16,19H2,(H,29,31)