ethyl 1-[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-[5-[(4-bromophenyl)sulfonylmethyl]furan-2-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-[(4-bromophenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-[(4-bromophenyl)sulfonylmethyl]-2-furanyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-[(4-bromophenyl)sulfonylmethyl]furan-2-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-(brosylmethyl)-2-furoyl]nipecotic acid ethyl ester Formula: C20H22BrNO6S MolecularWeight: 484.36078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H22BrNO6S/c1-2-27-20(24)14-4-3-11-22(12-14)19(23)18-10-7-16(28-18)13-29(25,26)17-8-5-15(21)6-9-17/h5-10,14H,2-4,11-13H2,1H3