3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid

Systemtic Name: 3-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid Openeye Name: 3-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]sulfonyl-4-methyl-benzoic acid CAS Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]sulfonyl]-4-methylbenzoic acid IUPAC Name: 3-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-4-methylbenzoic acid Traditional Name: 3-[4-(2-chloro-6-fluoro-benzyl)piperazino]sulfonyl-4-methyl-benzoic acid Formula: C19H20ClFN2O4S MolecularWeight: 426.889503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN2O4S/c1-13-5-6-14(19(24)25)11-18(13)28(26,27)23-9-7-22(8-10-23)12-15-16(20)3-2-4-17(15)21/h2-6,11H,7-10,12H2,1H3,(H,24,25)