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

Systemtic Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Openeye Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide CAS Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide IUPAC Name: N-(2-methylsulfonyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitrobenzamide Traditional Name: N-(2-mesyl-3,4-dihydro-1H-isoquinolin-7-yl)-3-nitro-benzamide Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5S/c1-26(24,25)19-8-7-12-5-6-15(9-14(12)11-19)18-17(21)13-3-2-4-16(10-13)20(22)23/h2-6,9-10H,7-8,11H2,1H3,(H,18,21)