phenyl 4-[2-(phenoxysulfonylamino)-1-[3-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonate

Systemtic Name: phenyl 4-[2-(phenoxysulfonylamino)-1-[3-(phenylmethyl)piperazin-1-yl]ethyl]benzenesulfonate Openeye Name: phenyl 4-[1-(3-benzylpiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate CAS Name: 4-[2-(phenoxysulfonylamino)-1-[3-(phenylmethyl)-1-piperazinyl]ethyl]benzenesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-(3-benzylpiperazin-1-yl)-2-(phenoxysulfonylamino)ethyl]benzenesulfonate Traditional Name: 4-[1-(3-benzylpiperazino)-2-(phenoxysulfonylamino)ethyl]benzenesulfonic acid phenyl ester Formula: C31H33N3O6S2 MolecularWeight: 607.74022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(N1)CC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1CN(CC(N1)CC2=CC=CC=C2)C(CNS(=O)(=O)OC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)OC5=CC=CC=C5

InChI

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