2-[5-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[4-(5-bromo-2-pyridyl)piperazin-1-yl]sulfonyl-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[4-(5-bromo-2-pyridinyl)-1-piperazinyl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[4-(5-bromopyridin-2-yl)piperazin-1-yl]sulfonyl-2-methylphenyl]acetic acid Traditional Name: 2-[5-[4-(5-bromo-2-pyridyl)piperazino]sulfonyl-2-methyl-phenyl]acetic acid Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4S/c1-13-2-4-16(10-14(13)11-18(23)24)27(25,26)22-8-6-21(7-9-22)17-5-3-15(19)12-20-17/h2-5,10,12H,6-9,11H2,1H3,(H,23,24)