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

Systemtic Name: phenyl 4-[1-[4-(2-methylpropyl)phenyl]-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Openeye Name: phenyl 4-[1-(4-isobutylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate CAS Name: 4-[1-[4-(2-methylpropyl)phenyl]-2-(phenoxysulfonylamino)ethyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-[1-[4-(2-methylpropyl)phenyl]-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonate Traditional Name: 4-[1-(4-isobutylphenyl)-2-(phenoxysulfonylamino)ethyl]piperazine-2-sulfonic acid phenyl ester Formula: C28H35N3O6S2 MolecularWeight: 573.724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(CNS(=O)(=O)OC2=CC=CC=C2)N3CCNC(C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C28H35N3O6S2/c1-22(2)19-23-13-15-24(16-14-23)27(20-30-39(34,35)37-26-11-7-4-8-12-26)31-18-17-29-28(21-31)38(32,33)36-25-9-5-3-6-10-25/h3-16,22,27-30H,17-21H2,1-2H3