methyl 3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: methyl 3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: methyl 3-[4-(2-thienylmethyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 3-[[4-(thiophen-2-ylmethyl)-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(thiophen-2-ylmethyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 3-[4-(2-thenyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C17H20N2O4S2/c1-23-17(20)14-4-2-6-16(12-14)25(21,22)19-9-7-18(8-10-19)13-15-5-3-11-24-15/h2-6,11-12H,7-10,13H2,1H3