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

Systemtic Name: [2-(hexylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(hexylamino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(hexylamino)-2-oxoethyl] ester IUPAC Name: [2-(hexylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(hexylamino)-2-keto-ethyl] ester Formula: C17H25NO5S MolecularWeight: 355.4491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-4-5-6-7-10-18-16(19)12-23-17(20)15-11-14(24(3,21)22)9-8-13(15)2/h8-9,11H,4-7,10,12H2,1-3H3,(H,18,19)