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

Systemtic Name: 2,4-bis(chloranyl)-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonyl-benzoic acid Openeye Name: 2,4-dichloro-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]sulfonyl-benzoic acid CAS Name: 2,4-dichloro-5-[[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]sulfonyl]benzoic acid IUPAC Name: 2,4-dichloro-5-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]sulfonylbenzoic acid Traditional Name: 2,4-dichloro-5-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]sulfonyl-benzoic acid Formula: C16H16Cl2N2O6S3 MolecularWeight: 499.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=C(C(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C16H16Cl2N2O6S3/c1-10-2-3-15(27-10)29(25,26)20-6-4-19(5-7-20)28(23,24)14-8-11(16(21)22)12(17)9-13(14)18/h2-3,8-9H,4-7H2,1H3,(H,21,22)