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

Systemtic Name: ethyl 4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-[4-(methylthio)benzyl]piperazino]sulfonylbenzoic acid ethyl ester Formula: C21H26N2O4S2 MolecularWeight: 434.57214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H26N2O4S2/c1-3-27-21(24)18-6-10-20(11-7-18)29(25,26)23-14-12-22(13-15-23)16-17-4-8-19(28-2)9-5-17/h4-11H,3,12-16H2,1-2H3