phenyl 4-[2-(iodanylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(iodanylsulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(iodosulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(iodosulfonylamino)-5-methylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(iodosulfonylamino)-5-methylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(iodosulfonylamino)-5-methyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C17H20IN3O5S2 MolecularWeight: 537.39227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)NS(=O)(=O)I)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C17H20IN3O5S2/c1-13-7-8-15(20-28(18,24)25)16(11-13)21-10-9-19-17(12-21)27(22,23)26-14-5-3-2-4-6-14/h2-8,11,17,19-20H,9-10,12H2,1H3