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

Systemtic Name: 2,4-bis(chloranyl)-5-(4-ethylsulfonylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-(4-ethylsulfonylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[(4-ethylsulfonyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-(4-ethylsulfonylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-(4-esylpiperazino)sulfonyl-benzoic acid Formula: C13H16Cl2N2O6S2 MolecularWeight: 431.31194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16Cl2N2O6S2/c1-2-24(20,21)16-3-5-17(6-4-16)25(22,23)12-7-9(13(18)19)10(14)8-11(12)15/h7-8H,2-6H2,1H3,(H,18,19)