[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C21H22FN3O7S MolecularWeight: 479.478683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2=CC=CC=C2F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H22FN3O7S/c1-14-6-7-15(12-18(14)33(29,30)25-8-10-31-11-9-25)20(27)32-13-19(26)24-21(28)23-17-5-3-2-4-16(17)22/h2-7,12H,8-11,13H2,1H3,(H2,23,24,26,28)