[2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [2-(4-fluorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]-(4-phenylpiperazino)methanone Formula: C26H26FN3O3S MolecularWeight: 479.566343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3CC4=CC=CC=C4CN3S(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H26FN3O3S/c27-22-10-12-24(13-11-22)34(32,33)30-19-21-7-5-4-6-20(21)18-25(30)26(31)29-16-14-28(15-17-29)23-8-2-1-3-9-23/h1-13,25H,14-19H2