3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-(3-chloranyl-4-fluoranyl-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-(3-chloro-4-fluorophenyl)sulfonyl-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(3-chloro-4-fluoro-phenyl)sulfonylpiperazino]sulfonyl-4-methyl-benzoic acid Formula: C18H18ClFN2O6S2 MolecularWeight: 476.926723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H18ClFN2O6S2/c1-12-2-3-13(18(23)24)10-17(12)30(27,28)22-8-6-21(7-9-22)29(25,26)14-4-5-16(20)15(19)11-14/h2-5,10-11H,6-9H2,1H3,(H,23,24)