3-fluoranyl-4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-fluoranyl-4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 3-fluoro-4-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 3-fluoro-4-methyl-5-(4-methylpiperazino)sulfonyl-benzoic acid Formula: C13H17FN2O4S MolecularWeight: 316.348483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)N2CCN(CC2)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)N2CCN(CC2)C)C(=O)O)F

InChI

InChI=1S/C13H17FN2O4S/c1-9-11(14)7-10(13(17)18)8-12(9)21(19,20)16-5-3-15(2)4-6-16/h7-8H,3-6H2,1-2H3,(H,17,18)