ethyl 5-[4-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[[4-[(3-bromophenyl)carbamoyl]-1-piperidyl]sulfonyl]furan-2-carboxylate CAS Name: 5-[[4-[(3-bromoanilino)-oxomethyl]-1-piperidinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(3-bromophenyl)carbamoyl]piperidin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-[(3-bromophenyl)carbamoyl]piperidino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C19H21BrN2O6S MolecularWeight: 485.34884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O6S/c1-2-27-19(24)16-6-7-17(28-16)29(25,26)22-10-8-13(9-11-22)18(23)21-15-5-3-4-14(20)12-15/h3-7,12-13H,2,8-11H2,1H3,(H,21,23)