[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C20H27FN2O6S MolecularWeight: 442.501583

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C20H27FN2O6S/c1-14-4-2-3-5-18(14)22-19(24)13-29-20(25)16-12-15(6-7-17(16)21)30(26,27)23-8-10-28-11-9-23/h6-7,12,14,18H,2-5,8-11,13H2,1H3,(H,22,24)