phenyl 4-[2-(bromanylamino)-1-(3-iodanylpiperazin-1-yl)ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(bromanylamino)-1-(3-iodanylpiperazin-1-yl)ethyl]benzenesulfonate Openeye Name: phenyl 4-[2-(bromoamino)-1-(3-iodopiperazin-1-yl)ethyl]benzenesulfonate CAS Name: 4-[2-(bromoamino)-1-(3-iodo-1-piperazinyl)ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(bromoamino)-1-(3-iodopiperazin-1-yl)ethyl]benzenesulfonate Traditional Name: 4-[2-(bromoamino)-1-(3-iodopiperazino)ethyl]benzenesulfonic acid phenyl ester Formula: C18H21BrIN3O3S MolecularWeight: 566.25111

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)I)C(CNBr)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

C1CN(CC(N1)I)C(CNBr)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H21BrIN3O3S/c19-22-12-17(23-11-10-21-18(20)13-23)14-6-8-16(9-7-14)27(24,25)26-15-4-2-1-3-5-15/h1-9,17-18,21-22H,10-13H2