methyl 4-[[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(2-phenylsulfanylethanoyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-phenylsulfanylacetyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-[1-oxo-2-(phenylthio)ethyl]-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(2-phenylsulfanylacetyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-[2-(phenylthio)acetyl]piperazino]methyl]benzoic acid methyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)C(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O3S/c1-26-21(25)18-9-7-17(8-10-18)15-22-11-13-23(14-12-22)20(24)16-27-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3