methyl 4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate

Systemtic Name: methyl 4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: methyl 4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-thenoyl)piperazino]sulfonylbenzoic acid methyl ester Formula: C17H18N2O5S2 MolecularWeight: 394.46522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H18N2O5S2/c1-24-17(21)13-4-6-14(7-5-13)26(22,23)19-10-8-18(9-11-19)16(20)15-3-2-12-25-15/h2-7,12H,8-11H2,1H3