2-[3-[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[1-(5-bromanylthiophen-2-yl)sulfonylpiperidin-3-yl]phenyl]ethanoic acid Openeye Name: 2-[3-[1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]phenyl]acetic acid CAS Name: 2-[3-[1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinyl]phenyl]acetic acid IUPAC Name: 2-[3-[1-(5-bromothiophen-2-yl)sulfonylpiperidin-3-yl]phenyl]acetic acid Traditional Name: 2-[3-[1-[(5-bromo-2-thienyl)sulfonyl]-3-piperidyl]phenyl]acetic acid Formula: C17H18BrNO4S2 MolecularWeight: 444.36312

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C3=CC(=CC=C3)CC(=O)O

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(S2)Br)C3=CC(=CC=C3)CC(=O)O

InChI

InChI=1S/C17H18BrNO4S2/c18-15-6-7-17(24-15)25(22,23)19-8-2-5-14(11-19)13-4-1-3-12(9-13)10-16(20)21/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,20,21)