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

Systemtic Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Openeye Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide CAS Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-quinoxalinecarboxamide IUPAC Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Traditional Name: N-(2-propylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)quinoxaline-2-carboxamide Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H22N4O3S/c1-2-11-29(27,28)25-10-9-15-7-8-17(12-16(15)14-25)23-21(26)20-13-22-18-5-3-4-6-19(18)24-20/h3-8,12-13H,2,9-11,14H2,1H3,(H,23,26)