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

Systemtic Name: N-(2-thiophen-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide Openeye Name: N-[2-(3-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(3-thiophenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-(2-thiophen-3-ylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-4-carboxamide Traditional Name: N-[2-(3-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]isonicotinamide Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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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=CSC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S2/c23-19(15-3-7-20-8-4-15)21-17-2-1-14-5-9-22(12-16(14)11-17)27(24,25)18-6-10-26-13-18/h1-4,6-8,10-11,13H,5,9,12H2,(H,21,23)