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

Systemtic Name: phenyl 3-(3-chloranylpiperazin-1-yl)-4-(iodanylsulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-chloropiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate CAS Name: 3-(3-chloro-1-piperazinyl)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-chloropiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate Traditional Name: 3-(3-chloropiperazino)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester Formula: C16H17ClIN3O5S2 MolecularWeight: 557.81075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClIN3O5S2/c17-16-11-21(9-8-19-16)15-10-13(6-7-14(15)20-28(18,24)25)27(22,23)26-12-4-2-1-3-5-12/h1-7,10,16,19-20H,8-9,11H2