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

Systemtic Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(iodanylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate CAS Name: 3-(3-ethoxy-1-piperazinyl)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-ethoxypiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate Traditional Name: 3-(3-ethoxypiperazino)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester Formula: C18H22IN3O6S2 MolecularWeight: 567.41825

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C18H22IN3O6S2/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