ethyl 4-(4-methylsulfanylphenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-methylsulfanylphenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-methylsulfanylphenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-(methylthio)phenyl]sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylsulfanylphenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-(methylthio)phenyl]sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C14H20N2O4S2/c1-3-20-14(17)15-8-10-16(11-9-15)22(18,19)13-6-4-12(21-2)5-7-13/h4-7H,3,8-11H2,1-2H3