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

Systemtic Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitro-benzamide Openeye Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitro-benzamide CAS Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-ethylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-esyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-methyl-3-nitro-benzamide Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-3-28(26,27)21-9-8-14-6-7-17(10-16(14)12-21)20-19(23)15-5-4-13(2)18(11-15)22(24)25/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,20,23)