2-chloranyl-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide Openeye Name: 2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide CAS Name: 2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitrobenzamide IUPAC Name: 2-chloro-N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitrobenzamide Traditional Name: 2-chloro-N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-5-nitro-benzamide Formula: C18H18ClN3O5S MolecularWeight: 423.87062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCS(=O)(=O)N1CCC2=C(C1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN3O5S/c1-2-28(26,27)21-8-7-12-3-4-14(9-13(12)11-21)20-18(23)16-10-15(22(24)25)5-6-17(16)19/h3-6,9-10H,2,7-8,11H2,1H3,(H,20,23)