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

Systemtic Name: phenyl 4-(4-methylsulfanyl-2-propan-2-ylsulfonyl-phenyl)piperazine-2-sulfonate Openeye Name: phenyl 4-(2-isopropylsulfonyl-4-methylsulfanyl-phenyl)piperazine-2-sulfonate CAS Name: 4-[4-(methylthio)-2-propan-2-ylsulfonylphenyl]-2-piperazinesulfonic acid phenyl ester IUPAC Name: phenyl 4-(4-methylsulfanyl-2-propan-2-ylsulfonylphenyl)piperazine-2-sulfonate Traditional Name: 4-[2-isopropylsulfonyl-4-(methylthio)phenyl]piperazine-2-sulfonic acid phenyl ester Formula: C20H26N2O5S3 MolecularWeight: 470.62584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S3/c1-15(2)29(23,24)19-13-17(28-3)9-10-18(19)22-12-11-21-20(14-22)30(25,26)27-16-7-5-4-6-8-16/h4-10,13,15,20-21H,11-12,14H2,1-3H3