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

Systemtic Name: phenyl 4-(4-methylsulfanyl-2-phenyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(4-methylsulfanyl-2-phenyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(methylthio)-2-phenylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-methylsulfanyl-2-phenylphenyl)piperazine-2-sulfonate Traditional Name: 4-[4-(methylthio)-2-phenyl-phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O3S2/c1-29-20-12-13-22(21(16-20)18-8-4-2-5-9-18)25-15-14-24-23(17-25)30(26,27)28-19-10-6-3-7-11-19/h2-13,16,23-24H,14-15,17H2,1H3