[1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-fluoranyl-5-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 2-fluoro-5-morpholinosulfonyl-benzoate CAS Name: 2-fluoro-5-(4-morpholinylsulfonyl)benzoic acid [1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2-fluoro-5-morpholin-4-ylsulfonylbenzoate Traditional Name: 2-fluoro-5-morpholinosulfonyl-benzoic acid [2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C24H29FN2O6S MolecularWeight: 492.560263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)F

InChI

InChI=1S/C24H29FN2O6S/c1-16(22(28)26-18-7-5-17(6-8-18)24(2,3)4)33-23(29)20-15-19(9-10-21(20)25)34(30,31)27-11-13-32-14-12-27/h5-10,15-16H,11-14H2,1-4H3,(H,26,28)