[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C18H17FN2O7S MolecularWeight: 424.400183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=CC(=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C18H17FN2O7S/c1-11(12-3-6-14(19)7-4-12)20-17(22)10-28-18(23)13-5-8-16(29(2,26)27)15(9-13)21(24)25/h3-9,11H,10H2,1-2H3,(H,20,22)/t11-/m0/s1