3-methylsulfonyl-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Systemtic Name: 3-methylsulfonyl-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: 3-methylsulfonyl-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: 3-methylsulfonyl-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: 3-methylsulfonyl-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: 3-mesyl-N-(4-nitrophenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C17H17N3O5S MolecularWeight: 375.39898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1CC2=CC=CC=C2CN1C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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