3-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzoic acid

Systemtic Name: 3-[4-(oxolan-2-ylcarbonyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(tetrahydrofuran-2-carbonyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-[oxo(2-oxolanyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(tetrahydrofuran-2-carbonyl)piperazino]sulfonylbenzoic acid Formula: C16H20N2O6S MolecularWeight: 368.4048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

C1CC(OC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C16H20N2O6S/c19-15(14-5-2-10-24-14)17-6-8-18(9-7-17)25(22,23)13-4-1-3-12(11-13)16(20)21/h1,3-4,11,14H,2,5-10H2,(H,20,21)