(3R)-N-(4-ethoxy-2-nitro-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: (3R)-N-(4-ethoxy-2-nitro-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: (3R)-N-(4-ethoxy-2-nitro-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: (3R)-N-(4-ethoxy-2-nitrophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: (3R)-N-(4-ethoxy-2-nitrophenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: (3R)-N-(4-ethoxy-2-nitro-phenyl)-2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C24H22FN3O6S MolecularWeight: 499.511383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)NC(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC(=C(C=C1)NC(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C24H22FN3O6S/c1-2-34-19-9-12-21(22(14-19)28(30)31)26-24(29)23-13-16-5-3-4-6-17(16)15-27(23)35(32,33)20-10-7-18(25)8-11-20/h3-12,14,23H,2,13,15H2,1H3,(H,26,29)/t23-/m1/s1