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

Systemtic Name: phenyl 5-bromanyl-2-(3-iodanylpiperazin-1-yl)benzenesulfonate Openeye Name: phenyl 5-bromo-2-(3-iodopiperazin-1-yl)benzenesulfonate CAS Name: 5-bromo-2-(3-iodo-1-piperazinyl)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 5-bromo-2-(3-iodopiperazin-1-yl)benzenesulfonate Traditional Name: 5-bromo-2-(3-iodopiperazino)benzenesulfonic acid phenyl ester Formula: C16H16BrIN2O3S MolecularWeight: 523.18331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrIN2O3S/c17-12-6-7-14(20-9-8-19-16(18)11-20)15(10-12)24(21,22)23-13-4-2-1-3-5-13/h1-7,10,16,19H,8-9,11H2