phenyl 5-fluoranyl-2-(3-methoxypiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-fluoranyl-2-(3-methoxypiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-fluoro-2-(3-methoxypiperazin-1-yl)benzenesulfonate CAS Name: 5-fluoro-2-(3-methoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-fluoro-2-(3-methoxypiperazin-1-yl)benzenesulfonate Traditional Name: 5-fluoro-2-(3-methoxypiperazino)benzenesulfonic acid phenyl ester Formula: C17H19FN2O4S MolecularWeight: 366.407163

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCN1)C2=C(C=C(C=C2)F)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

COC1CN(CCN1)C2=C(C=C(C=C2)F)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H19FN2O4S/c1-23-17-12-20(10-9-19-17)15-8-7-13(18)11-16(15)25(21,22)24-14-5-3-2-4-6-14/h2-8,11,17,19H,9-10,12H2,1H3