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

Systemtic Name: 3-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzamide Openeye Name: 3-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitro-benzamide CAS Name: 3-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitrobenzamide IUPAC Name: 3-methyl-N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-4-nitrobenzamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-methyl-4-nitro-benzamide Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(CCN(C3)S(=O)(=O)C)C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-12-9-14(4-6-17(12)21(23)24)18(22)19-16-5-3-13-7-8-20(27(2,25)26)11-15(13)10-16/h3-6,9-10H,7-8,11H2,1-2H3,(H,19,22)