phenyl 4-[4-methylsulfanyl-2-(phenylmethyl)phenyl]piperazine-2-sulfonate

Systemtic Name: phenyl 4-[4-methylsulfanyl-2-(phenylmethyl)phenyl]piperazine-2-sulfonate Openeye Name: phenyl 4-(2-benzyl-4-methylsulfanyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(methylthio)-2-(phenylmethyl)phenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(2-benzyl-4-methylsulfanylphenyl)piperazine-2-sulfonate Traditional Name: 4-[2-benzyl-4-(methylthio)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C24H26N2O3S2 MolecularWeight: 454.60484

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC(=C(C=C1)N2CCNC(C2)S(=O)(=O)OC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O3S2/c1-30-22-12-13-23(20(17-22)16-19-8-4-2-5-9-19)26-15-14-25-24(18-26)31(27,28)29-21-10-6-3-7-11-21/h2-13,17,24-25H,14-16,18H2,1H3