[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-methylsulfonylbenzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-methylsulfonylbenzoate CAS Name: 2-methylsulfonylbenzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-methylsulfonylbenzoate Traditional Name: 2-mesylbenzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CC(C)CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C18H27NO5S/c1-13(2)8-7-9-14(3)19-17(20)12-24-18(21)15-10-5-6-11-16(15)25(4,22)23/h5-6,10-11,13-14H,7-9,12H2,1-4H3,(H,19,20)