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

Systemtic Name: [2-(dicyclohexylamino)-2-oxidanylidene-ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(dicyclohexylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-(dicyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(dicyclohexylamino)-2-oxoethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(dicyclohexylamino)-2-keto-ethyl] ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO5S/c1-29(26,27)20-14-8-9-17(15-20)22(25)28-16-21(24)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h8-9,14-15,18-19H,2-7,10-13,16H2,1H3