4-fluoranyl-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-fluoranyl-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-fluoro-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-fluoro-3-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-fluoro-3-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-fluoro-3-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]sulfonyl-benzoic acid Formula: C16H17FN2O6S3 MolecularWeight: 448.509383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)F

InChI

InChI=1S/C16H17FN2O6S3/c1-11-2-5-15(26-11)28(24,25)19-8-6-18(7-9-19)27(22,23)14-10-12(16(20)21)3-4-13(14)17/h2-5,10H,6-9H2,1H3,(H,20,21)