ethyl 4-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-methylsulfanylphenyl)carbonylpiperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[2-(methylthio)phenyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methylsulfanylbenzoyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[2-(methylthio)benzoyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C21H24N2O5S2/c1-3-28-21(25)16-8-10-17(11-9-16)30(26,27)23-14-12-22(13-15-23)20(24)18-6-4-5-7-19(18)29-2/h4-11H,3,12-15H2,1-2H3