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

Systemtic Name: ethyl 4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)sulfonylbenzoate Openeye Name: ethyl 4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(thiophene-2-carbonyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-thenoyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C18H20N2O5S2 MolecularWeight: 408.4918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S2/c1-2-25-18(22)14-5-7-15(8-6-14)27(23,24)20-11-9-19(10-12-20)17(21)16-4-3-13-26-16/h3-8,13H,2,9-12H2,1H3