phenyl 5-bromanyl-2-(3-ethoxypiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 5-bromanyl-2-(3-ethoxypiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-bromo-2-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 5-bromo-2-(3-ethoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-bromo-2-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 5-bromo-2-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C18H21BrN2O4S MolecularWeight: 441.33934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CN(CCN1)C2=C(C=C(C=C2)Br)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCOC1CN(CCN1)C2=C(C=C(C=C2)Br)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H21BrN2O4S/c1-2-24-18-13-21(11-10-20-18)16-9-8-14(19)12-17(16)26(22,23)25-15-6-4-3-5-7-15/h3-9,12,18,20H,2,10-11,13H2,1H3