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

Systemtic Name: phenyl 4-[2-(iodanylsulfonylamino)-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[2-(iodosulfonylamino)-5-isobutyl-phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(iodosulfonylamino)-5-(2-methylpropyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[2-(iodosulfonylamino)-5-(2-methylpropyl)phenyl]piperazine-2-sulfonate Traditional Name: 4-[2-(iodosulfonylamino)-5-isobutyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H26IN3O5S2 MolecularWeight: 579.47201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26IN3O5S2/c1-15(2)12-16-8-9-18(23-31(21,27)28)19(13-16)24-11-10-22-20(14-24)30(25,26)29-17-6-4-3-5-7-17/h3-9,13,15,20,22-23H,10-12,14H2,1-2H3