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

Systemtic Name: phenyl 4-[2-(iodanylsulfonylamino)-5-phenoxysulfonyl-phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(iodosulfonylamino)-5-phenoxysulfonyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(iodosulfonylamino)-5-phenoxysulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(iodosulfonylamino)-5-phenoxysulfonylphenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(iodosulfonylamino)-5-phenoxysulfonyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H22IN3O8S3 MolecularWeight: 679.52485

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)I

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)I

InChI

InChI=1S/C22H22IN3O8S3/c23-37(31,32)25-20-12-11-19(35(27,28)33-17-7-3-1-4-8-17)15-21(20)26-14-13-24-22(16-26)36(29,30)34-18-9-5-2-6-10-18/h1-12,15,22,24-25H,13-14,16H2