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

Systemtic Name: 4-ethoxy-3-fluoranyl-N-[2-[4-(phenylmethyl)piperazin-1-yl]-2-pyridin-3-yl-ethyl]benzenesulfonamide Openeye Name: N-[2-(4-benzylpiperazin-1-yl)-2-(3-pyridyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide CAS Name: 4-ethoxy-3-fluoro-N-[2-[4-(phenylmethyl)-1-piperazinyl]-2-(3-pyridinyl)ethyl]benzenesulfonamide IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)-2-pyridin-3-ylethyl]-4-ethoxy-3-fluorobenzenesulfonamide Traditional Name: N-[2-(4-benzylpiperazino)-2-(3-pyridyl)ethyl]-4-ethoxy-3-fluoro-benzenesulfonamide Formula: C26H31FN4O3S MolecularWeight: 498.612743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)S(=O)(=O)NCC(C2=CN=CC=C2)N3CCN(CC3)CC4=CC=CC=C4)F

InChI

InChI=1S/C26H31FN4O3S/c1-2-34-26-11-10-23(17-24(26)27)35(32,33)29-19-25(22-9-6-12-28-18-22)31-15-13-30(14-16-31)20-21-7-4-3-5-8-21/h3-12,17-18,25,29H,2,13-16,19-20H2,1H3