phenyl 3-ethyl-4-(3-fluoranylpiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 3-ethyl-4-(3-fluoranylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 3-ethyl-4-(3-fluoropiperazin-1-yl)benzenesulfonate CAS Name: 3-ethyl-4-(3-fluoro-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-ethyl-4-(3-fluoropiperazin-1-yl)benzenesulfonate Traditional Name: 3-ethyl-4-(3-fluoropiperazino)benzenesulfonic acid phenyl ester Formula: C18H21FN2O3S MolecularWeight: 364.434343

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

Isomeric SMILES

CCC1=C(C=CC(=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)F

InChI

InChI=1S/C18H21FN2O3S/c1-2-14-12-16(25(22,23)24-15-6-4-3-5-7-15)8-9-17(14)21-11-10-20-18(19)13-21/h3-9,12,18,20H,2,10-11,13H2,1H3