phenyl 3-(3-iodanylpiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate

Systemtic Name: phenyl 3-(3-iodanylpiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate Openeye Name: phenyl 3-(3-iodopiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate CAS Name: 3-(3-iodo-1-piperazinyl)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-iodopiperazin-1-yl)-4-(methoxysulfonylamino)benzenesulfonate Traditional Name: 3-(3-iodopiperazino)-4-(methoxysulfonylamino)benzenesulfonic acid phenyl ester Formula: C17H20IN3O6S2 MolecularWeight: 553.39167

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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)I

Isomeric SMILES

COS(=O)(=O)NC1=C(C=C(C=C1)S(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)I

InChI

InChI=1S/C17H20IN3O6S2/c1-26-29(24,25)20-15-8-7-14(11-16(15)21-10-9-19-17(18)12-21)28(22,23)27-13-5-3-2-4-6-13/h2-8,11,17,19-20H,9-10,12H2,1H3