phenyl 5-ethoxy-2-(3-fluoranylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-ethoxy-2-(3-fluoranylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-ethoxy-2-(3-fluoropiperazin-1-yl)benzenesulfonate CAS Name: 5-ethoxy-2-(3-fluoro-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-ethoxy-2-(3-fluoropiperazin-1-yl)benzenesulfonate Traditional Name: 5-ethoxy-2-(3-fluoropiperazino)benzenesulfonic acid phenyl ester Formula: C18H21FN2O4S MolecularWeight: 380.433743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2CCNC(C2)F)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2CCNC(C2)F)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H21FN2O4S/c1-2-24-15-8-9-16(21-11-10-20-18(19)13-21)17(12-15)26(22,23)25-14-6-4-3-5-7-14/h3-9,12,18,20H,2,10-11,13H2,1H3