N-(2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide

Systemtic Name: N-(2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide Openeye Name: N-[2-(3-pyridylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(3-pyridinylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-(2-pyridin-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide Traditional Name: N-[2-(3-pyridylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=CC=NC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H18N4O3S/c25-20(16-5-9-21-10-6-16)23-18-4-3-15-7-11-24(14-17(15)12-18)28(26,27)19-2-1-8-22-13-19/h1-6,8-10,12-13H,7,11,14H2,(H,23,25)