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

Systemtic Name: methyl 2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 2-[4-[2-(2-thienyl)ethyl]piperazin-1-yl]sulfonylbenzoate CAS Name: 2-[[4-(2-thiophen-2-ylethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 2-[4-[2-(2-thienyl)ethyl]piperazino]sulfonylbenzoic acid methyl ester Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)N2CCN(CC2)CCC3=CC=CS3

InChI

InChI=1S/C18H22N2O4S2/c1-24-18(21)16-6-2-3-7-17(16)26(22,23)20-12-10-19(11-13-20)9-8-15-5-4-14-25-15/h2-7,14H,8-13H2,1H3