(4-ethanoylphenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (4-ethanoylphenyl) 1-(5-bromanylthiophen-2-yl)sulfonylpiperidine-3-carboxylate Openeye Name: (4-acetylphenyl) 1-[(5-bromo-2-thienyl)sulfonyl]piperidine-3-carboxylate CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-3-piperidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 1-(5-bromothiophen-2-yl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]nipecotic acid (4-acetylphenyl) ester Formula: C18H18BrNO5S2 MolecularWeight: 472.37322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(S3)Br

InChI

InChI=1S/C18H18BrNO5S2/c1-12(21)13-4-6-15(7-5-13)25-18(22)14-3-2-10-20(11-14)27(23,24)17-9-8-16(19)26-17/h4-9,14H,2-3,10-11H2,1H3