1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]nipecotic acid Formula: C10H12BrNO4S2 MolecularWeight: 354.24058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12BrNO4S2/c11-8-3-4-9(17-8)18(15,16)12-5-1-2-7(6-12)10(13)14/h3-4,7H,1-2,5-6H2,(H,13,14)