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

Systemtic Name: phenyl 4-[2-(iodanylsulfonylamino)-5-(phenylsulfonyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-(benzenesulfonyl)-2-(iodosulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(benzenesulfonyl)-2-(iodosulfonylamino)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-(benzenesulfonyl)-2-(iodosulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-besyl-2-(iodosulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C22H22IN3O7S3 MolecularWeight: 663.52545

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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)C4=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)C4=CC=CC=C4)NS(=O)(=O)I

InChI

InChI=1S/C22H22IN3O7S3/c23-36(31,32)25-20-12-11-19(34(27,28)18-9-5-2-6-10-18)15-21(20)26-14-13-24-22(16-26)35(29,30)33-17-7-3-1-4-8-17/h1-12,15,22,24-25H,13-14,16H2