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

Systemtic Name: 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2-methoxy-5-[[4-(2-methoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2-methoxy-5-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2-methoxy-5-[4-(2-methoxyphenyl)piperazino]sulfonyl-benzoic acid Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3OC)C(=O)O

InChI

InChI=1S/C19H22N2O6S/c1-26-17-8-7-14(13-15(17)19(22)23)28(24,25)21-11-9-20(10-12-21)16-5-3-4-6-18(16)27-2/h3-8,13H,9-12H2,1-2H3,(H,22,23)