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

Systemtic Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Openeye Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid CAS Name: 3-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 3-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 3-[4-(2-methoxyphenyl)piperazino]sulfonylbenzoic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c1-25-17-8-3-2-7-16(17)19-9-11-20(12-10-19)26(23,24)15-6-4-5-14(13-15)18(21)22/h2-8,13H,9-12H2,1H3,(H,21,22)