[2-(butylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)C

InChI

InChI=1S/C15H21NO5S/c1-4-5-8-16-14(17)10-21-15(18)13-9-12(22(3,19)20)7-6-11(13)2/h6-7,9H,4-5,8,10H2,1-3H3,(H,16,17)