[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H24N2O6S MolecularWeight: 384.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)CS(=O)(=O)C

InChI

InChI=1S/C17H24N2O6S/c1-12(2)7-8-18-17(22)19-15(20)10-25-16(21)14-6-4-5-13(9-14)11-26(3,23)24/h4-6,9,12H,7-8,10-11H2,1-3H3,(H2,18,19,20,22)