ethyl 3-bromanyl-4-[4-(methylcarbamoyl)piperidin-1-yl]sulfonyl-benzoate

Systemtic Name: ethyl 3-bromanyl-4-[4-(methylcarbamoyl)piperidin-1-yl]sulfonyl-benzoate Openeye Name: ethyl 3-bromo-4-[[4-(methylcarbamoyl)-1-piperidyl]sulfonyl]benzoate CAS Name: 3-bromo-4-[[4-(methylcarbamoyl)-1-piperidinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-bromo-4-[4-(methylcarbamoyl)piperidin-1-yl]sulfonylbenzoate Traditional Name: 3-bromo-4-[4-(methylcarbamoyl)piperidino]sulfonyl-benzoic acid ethyl ester Formula: C16H21BrN2O5S MolecularWeight: 433.31734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC)Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC)Br

InChI

InChI=1S/C16H21BrN2O5S/c1-3-24-16(21)12-4-5-14(13(17)10-12)25(22,23)19-8-6-11(7-9-19)15(20)18-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,18,20)