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

Systemtic Name: phenyl 4-[5-(phenylmethyl)-2-[(phenylmethyl)sulfonylamino]phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[5-benzyl-2-(benzylsulfonylamino)phenyl]piperazine-2-sulfonate CAS Name: 4-[5-(phenylmethyl)-2-[(phenylmethyl)sulfonylamino]phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[5-benzyl-2-(benzylsulfonylamino)phenyl]piperazine-2-sulfonate Traditional Name: 4-[5-benzyl-2-(benzylsulfonylamino)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C30H31N3O5S2 MolecularWeight: 577.71424

Click to see the large picture

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)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C3=C(C=CC(=C3)CC4=CC=CC=C4)NS(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C30H31N3O5S2/c34-39(35,23-25-12-6-2-7-13-25)32-28-17-16-26(20-24-10-4-1-5-11-24)21-29(28)33-19-18-31-30(22-33)40(36,37)38-27-14-8-3-9-15-27/h1-17,21,30-32H,18-20,22-23H2