phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(iodanylamino)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(iodanylamino)ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(iodoamino)ethyl]benzenesulfonate CAS Name: 4-[1-(3-ethoxy-1-piperazinyl)-2-(iodoamino)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-ethoxypiperazin-1-yl)-2-(iodoamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-ethoxypiperazino)-2-(iodoamino)ethyl]benzenesulfonic acid phenyl ester Formula: C20H26IN3O4S MolecularWeight: 531.40761

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26IN3O4S/c1-2-27-20-15-24(13-12-22-20)19(14-23-21)16-8-10-18(11-9-16)29(25,26)28-17-6-4-3-5-7-17/h3-11,19-20,22-23H,2,12-15H2,1H3