N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide

Systemtic Name: N-[2-(phenylsulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Openeye Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide CAS Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-4-pyridinecarboxamide IUPAC Name: N-[2-(benzenesulfonyl)-3,4-dihydro-1H-isoquinolin-7-yl]pyridine-4-carboxamide Traditional Name: N-(2-besyl-3,4-dihydro-1H-isoquinolin-7-yl)isonicotinamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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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=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c25-21(17-8-11-22-12-9-17)23-19-7-6-16-10-13-24(15-18(16)14-19)28(26,27)20-4-2-1-3-5-20/h1-9,11-12,14H,10,13,15H2,(H,23,25)