2-chloranyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-chloranyl-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-chloro-5-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-chloro-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-chloro-5-[4-(2-methoxyphenyl)piperazino]sulfonyl-benzoic acid Formula: C18H19ClN2O5S MolecularWeight: 410.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C18H19ClN2O5S/c1-26-17-5-3-2-4-16(17)20-8-10-21(11-9-20)27(24,25)13-6-7-15(19)14(12-13)18(22)23/h2-7,12H,8-11H2,1H3,(H,22,23)