phenyl 4-[2-(phenoxysulfonylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[2-(phenoxysulfonylamino)-1-[4-(phenylmethyl)phenyl]ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-benzylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[2-(phenoxysulfonylamino)-1-[4-(phenylmethyl)phenyl]ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(4-benzylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-benzylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C31H33N3O6S2 MolecularWeight: 607.74022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)S(=O)(=O)OC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H33N3O6S2/c35-41(36,39-28-12-6-2-7-13-28)31-24-34(21-20-32-31)30(23-33-42(37,38)40-29-14-8-3-9-15-29)27-18-16-26(17-19-27)22-25-10-4-1-5-11-25/h1-19,30-33H,20-24H2