phenyl 4-(4-methylsulfanyl-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate

Systemtic Name: phenyl 4-(4-methylsulfanyl-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-methylsulfanyl-2-phenoxysulfonyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(methylthio)-2-phenoxysulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-methylsulfanyl-2-phenoxysulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-[4-(methylthio)-2-phenoxysulfonyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H24N2O6S3 MolecularWeight: 520.64146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)S(=O)(=O)OC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O6S3/c1-32-20-12-13-21(22(16-20)33(26,27)30-18-8-4-2-5-9-18)25-15-14-24-23(17-25)34(28,29)31-19-10-6-3-7-11-19/h2-13,16,23-24H,14-15,17H2,1H3