[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C18H24ClNO5S MolecularWeight: 401.90486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2CCCCCCC2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)NC2CCCCCCC2

InChI

InChI=1S/C18H24ClNO5S/c1-26(23,24)14-9-10-16(19)15(11-14)18(22)25-12-17(21)20-13-7-5-3-2-4-6-8-13/h9-11,13H,2-8,12H2,1H3,(H,20,21)