methyl 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-[2-(methylthio)phenyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-methylsulfanylphenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[2-(methylthio)phenyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C19H22N2O4S2/c1-25-19(22)15-7-3-6-10-18(15)27(23,24)21-13-11-20(12-14-21)16-8-4-5-9-17(16)26-2/h3-10H,11-14H2,1-2H3