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

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C15H21NO5S MolecularWeight: 327.39594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO5S/c1-11(2)7-8-16-14(17)10-21-15(18)12-5-4-6-13(9-12)22(3,19)20/h4-6,9,11H,7-8,10H2,1-3H3,(H,16,17)