4-ethoxy-3-fluoranyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[1-[4-(phenylmethyl)piperazin-1-yl]-1-thiophen-2-yl-propan-2-yl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-(2-thienyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide IUPAC Name: N-[1-(4-benzylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-1-methyl-2-(2-thienyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C26H32FN3O3S2 MolecularWeight: 517.678983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NC(C)C(C2=CC=CS2)N3CCN(CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H32FN3O3S2/c1-3-33-24-12-11-22(18-23(24)27)35(31,32)28-20(2)26(25-10-7-17-34-25)30-15-13-29(14-16-30)19-21-8-5-4-6-9-21/h4-12,17-18,20,26,28H,3,13-16,19H2,1-2H3