[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O6S/c1-11(2)7-8-17-16(21)18-14(19)10-24-15(20)12-5-4-6-13(9-12)25(3,22)23/h4-6,9,11H,7-8,10H2,1-3H3,(H2,17,18,19,21)