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

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-benzofuran-2-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)benzofuran-2-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-benzofurancarboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-1-benzofuran-2-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)coumarilamide Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O4S/c1-2-11-28(25,26)23-10-9-15-7-8-18(12-17(15)14-23)22-21(24)20-13-16-5-3-4-6-19(16)27-20/h3-8,12-13H,2,9-11,14H2,1H3,(H,22,24)