2,4-bis(chloranyl)-5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[4-(2-ethoxyphenyl)-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-(4-o-phenetylpiperazino)sulfonyl-benzoic acid Formula: C19H20Cl2N2O5S MolecularWeight: 459.3435

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O5S/c1-2-28-17-6-4-3-5-16(17)22-7-9-23(10-8-22)29(26,27)18-11-13(19(24)25)14(20)12-15(18)21/h3-6,11-12H,2,7-10H2,1H3,(H,24,25)