N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(phenylcarbonyl)piperazin-1-yl]benzenesulfonamide

Systemtic Name: N-[2-(4-fluorophenyl)ethyl]-4-methoxy-3-[4-(phenylcarbonyl)piperazin-1-yl]benzenesulfonamide Openeye Name: 3-(4-benzoylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide CAS Name: 3-(4-benzoyl-1-piperazinyl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide IUPAC Name: 3-(4-benzoylpiperazin-1-yl)-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzenesulfonamide Traditional Name: 3-(4-benzoylpiperazino)-N-[2-(4-fluorophenyl)ethyl]-4-methoxy-benzenesulfonamide Formula: C26H28FN3O4S MolecularWeight: 497.581623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F)N3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CC=C(C=C2)F)N3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H28FN3O4S/c1-34-25-12-11-23(35(32,33)28-14-13-20-7-9-22(27)10-8-20)19-24(25)29-15-17-30(18-16-29)26(31)21-5-3-2-4-6-21/h2-12,19,28H,13-18H2,1H3