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

Systemtic Name: 4,5-dimethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-nitrobenzamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C19H21N3O7S/c1-28-17-9-15(16(22(24)25)10-18(17)29-2)19(23)20-14-5-4-12-6-7-21(30(3,26)27)11-13(12)8-14/h4-5,8-10H,6-7,11H2,1-3H3,(H,20,23)