phenyl 4-(bromanylsulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate

Systemtic Name: phenyl 4-(bromanylsulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 4-(bromosulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate CAS Name: 4-(bromosulfonylamino)-3-(3-ethoxy-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-(bromosulfonylamino)-3-(3-ethoxypiperazin-1-yl)benzenesulfonate Traditional Name: 4-(bromosulfonylamino)-3-(3-ethoxypiperazino)benzenesulfonic acid phenyl ester Formula: C18H22BrN3O6S2 MolecularWeight: 520.41778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN3O6S2/c1-2-27-18-13-22(11-10-20-18)17-12-15(8-9-16(17)21-30(19,25)26)29(23,24)28-14-6-4-3-5-7-14/h3-9,12,18,20-21H,2,10-11,13H2,1H3