3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitro-phenyl]methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-[(3-fluorophenyl)methylsulfonyl]-3-nitrophenyl]methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-fluorobenzyl)sulfonyl-3-nitro-phenyl]methanone Formula: C23H19FN2O5S MolecularWeight: 454.470763

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)S(=O)(=O)CC4=CC(=CC=C4)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C3=CC(=C(C=C3)S(=O)(=O)CC4=CC(=CC=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C23H19FN2O5S/c24-20-7-3-4-16(12-20)15-32(30,31)22-9-8-18(13-21(22)26(28)29)23(27)25-11-10-17-5-1-2-6-19(17)14-25/h1-9,12-13H,10-11,14-15H2