2-[5-[4-(4-chloranyl-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[4-(4-chloranyl-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(4-chlorothiazol-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(4-chloro-2-thiazolyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(4-chloro-1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(4-chlorothiazol-2-yl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C16H18ClN3O4S2 MolecularWeight: 415.91482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CS3)Cl)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=NC(=CS3)Cl)CC(=O)O

InChI

InChI=1S/C16H18ClN3O4S2/c1-11-2-3-13(8-12(11)9-15(21)22)26(23,24)20-6-4-19(5-7-20)16-18-14(17)10-25-16/h2-3,8,10H,4-7,9H2,1H3,(H,21,22)