4-[bis(fluoranyl)methylsulfonyl]-N-isoquinolin-5-yl-benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfonyl]-N-isoquinolin-5-yl-benzamide Openeye Name: 4-(difluoromethylsulfonyl)-N-(5-isoquinolyl)benzamide CAS Name: 4-(difluoromethylsulfonyl)-N-(5-isoquinolinyl)benzamide IUPAC Name: 4-(difluoromethylsulfonyl)-N-isoquinolin-5-ylbenzamide Traditional Name: 4-(difluoromethylsulfonyl)-N-(5-isoquinolyl)benzamide Formula: C17H12F2N2O3S MolecularWeight: 362.350586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H12F2N2O3S/c18-17(19)25(23,24)13-6-4-11(5-7-13)16(22)21-15-3-1-2-12-10-20-9-8-14(12)15/h1-10,17H,(H,21,22)