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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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