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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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