4-methoxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[[4-[(4-methoxyphenyl)methyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 4-methoxy-3-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 4-methoxy-3-(4-p-anisylpiperazino)sulfonyl-benzoic acid Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)OC

InChI

InChI=1S/C20H24N2O6S/c1-27-17-6-3-15(4-7-17)14-21-9-11-22(12-10-21)29(25,26)19-13-16(20(23)24)5-8-18(19)28-2/h3-8,13H,9-12,14H2,1-2H3,(H,23,24)