phenyl 4-(iodanylsulfonylamino)-3-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate

Systemtic Name: phenyl 4-(iodanylsulfonylamino)-3-[3-(phenylmethyl)piperazin-1-yl]benzenesulfonate Openeye Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate CAS Name: 4-(iodosulfonylamino)-3-[3-(phenylmethyl)-1-piperazinyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-benzylpiperazin-1-yl)-4-(iodosulfonylamino)benzenesulfonate Traditional Name: 3-(3-benzylpiperazino)-4-(iodosulfonylamino)benzenesulfonic acid phenyl ester Formula: C23H24IN3O5S2 MolecularWeight: 613.48823

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)I

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)OC4=CC=CC=C4)NS(=O)(=O)I

InChI

InChI=1S/C23H24IN3O5S2/c24-34(30,31)26-22-12-11-21(33(28,29)32-20-9-5-2-6-10-20)16-23(22)27-14-13-25-19(17-27)15-18-7-3-1-4-8-18/h1-12,16,19,25-26H,13-15,17H2