phenyl 4-[2-(bromanylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(bromanylsulfonylamino)-5-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-benzyl-2-(bromosulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[2-(bromosulfonylamino)-5-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-benzyl-2-(bromosulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-(bromosulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H24BrN3O5S2 MolecularWeight: 566.48776

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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)CC4=CC=CC=C4)NS(=O)(=O)Br

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)CC4=CC=CC=C4)NS(=O)(=O)Br

InChI

InChI=1S/C23H24BrN3O5S2/c24-34(30,31)26-21-12-11-19(15-18-7-3-1-4-8-18)16-22(21)27-14-13-25-23(17-27)33(28,29)32-20-9-5-2-6-10-20/h1-12,16,23,25-26H,13-15,17H2