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

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-pyridinecarboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)pyridine-3-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)nicotinamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H21N3O3S/c1-2-10-25(23,24)21-9-7-14-5-6-17(11-16(14)13-21)20-18(22)15-4-3-8-19-12-15/h3-6,8,11-12H,2,7,9-10,13H2,1H3,(H,20,22)