2,4-bis(chloranyl)-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2,4-bis(chloranyl)-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[(4-ethoxycarbonyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-(4-ethoxycarbonylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 5-(4-carbethoxypiperazino)sulfonyl-2,4-dichloro-benzoic acid Formula: C14H16Cl2N2O6S MolecularWeight: 411.25764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)O)Cl)Cl

InChI

InChI=1S/C14H16Cl2N2O6S/c1-2-24-14(21)17-3-5-18(6-4-17)25(22,23)12-7-9(13(19)20)10(15)8-11(12)16/h7-8H,2-6H2,1H3,(H,19,20)