5-chloranyl-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide

Systemtic Name: 5-chloranyl-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide Openeye Name: 5-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide CAS Name: 5-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitrobenzamide Traditional Name: 5-chloro-N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-2-nitro-benzamide Formula: C22H17ClFN3O5S MolecularWeight: 489.903883

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC2=C1C=CC(=C2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17ClFN3O5S/c23-16-2-8-21(27(29)30)20(12-16)22(28)25-18-5-1-14-9-10-26(13-15(14)11-18)33(31,32)19-6-3-17(24)4-7-19/h1-8,11-12H,9-10,13H2,(H,25,28)