4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid

Systemtic Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]carbonylbenzoic acid Openeye Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid CAS Name: 4-[[4-(4-methoxyphenyl)sulfonyl-1-piperazinyl]-oxomethyl]benzoic acid IUPAC Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Traditional Name: 4-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C19H20N2O6S/c1-27-16-6-8-17(9-7-16)28(25,26)21-12-10-20(11-13-21)18(22)14-2-4-15(5-3-14)19(23)24/h2-9H,10-13H2,1H3,(H,23,24)