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

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C22H30ClNO5S MolecularWeight: 455.9953

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N(C2CCCCC2)C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCC(=O)N(C2CCCCC2)C3CCCCC3

InChI

InChI=1S/C22H30ClNO5S/c1-30(27,28)18-12-13-20(23)19(14-18)22(26)29-15-21(25)24(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h12-14,16-17H,2-11,15H2,1H3