[2-(2-methylpropanoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate

Systemtic Name: [2-(2-methylpropanoylamino)-2-oxidanylidene-ethyl] 3-bromanyl-5-(4-methylpiperidin-1-yl)sulfonyl-benzoate Openeye Name: [2-(2-methylpropanoylamino)-2-oxo-ethyl] 3-bromo-5-[(4-methyl-1-piperidyl)sulfonyl]benzoate CAS Name: 3-bromo-5-[(4-methyl-1-piperidinyl)sulfonyl]benzoic acid [2-[(2-methyl-1-oxopropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropanoylamino)-2-oxoethyl] 3-bromo-5-(4-methylpiperidin-1-yl)sulfonylbenzoate Traditional Name: 3-bromo-5-(4-methylpiperidino)sulfonyl-benzoic acid [2-(isobutyrylamino)-2-keto-ethyl] ester Formula: C19H25BrN2O6S MolecularWeight: 489.3806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)NC(=O)C(C)C)Br

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(=O)OCC(=O)NC(=O)C(C)C)Br

InChI

InChI=1S/C19H25BrN2O6S/c1-12(2)18(24)21-17(23)11-28-19(25)14-8-15(20)10-16(9-14)29(26,27)22-6-4-13(3)5-7-22/h8-10,12-13H,4-7,11H2,1-3H3,(H,21,23,24)