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

Systemtic Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Openeye Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide CAS Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide IUPAC Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitrobenzamide Traditional Name: N-[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-nitro-benzamide Formula: C22H18FN3O5S MolecularWeight: 455.458823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18FN3O5S/c23-18-4-9-21(10-5-18)32(30,31)25-12-11-15-1-6-19(13-17(15)14-25)24-22(27)16-2-7-20(8-3-16)26(28)29/h1-10,13H,11-12,14H2,(H,24,27)