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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-3-pyridinecarboxamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyridine-3-carboxamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]nicotinamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4

InChI

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