3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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