[2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 4-[bis(fluoranyl)methylsulfonyl]benzoate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 4-(difluoromethylsulfonyl)benzoate CAS Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 4-(difluoromethylsulfonyl)benzoate Traditional Name: 4-(difluoromethylsulfonyl)benzoic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C17H21F2NO5S MolecularWeight: 389.414146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)C(F)F

InChI

InChI=1S/C17H21F2NO5S/c18-17(19)26(23,24)14-9-7-12(8-10-14)16(22)25-11-15(21)20-13-5-3-1-2-4-6-13/h7-10,13,17H,1-6,11H2,(H,20,21)