(2S)-2-[(4-fluorophenyl)carbamoylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(4-fluorophenyl)carbamoylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(4-fluorophenyl)carbamoylamino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-fluoroanilino)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(4-fluorophenyl)carbamoylamino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-fluorophenyl)carbamoylamino]-4-mesyl-butyrate Formula: C12H14FN2O5S- MolecularWeight: 317.313363

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)NC1=CC=C(C=C1)F

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)NC1=CC=C(C=C1)F

InChI

InChI=1S/C12H15FN2O5S/c1-21(19,20)7-6-10(11(16)17)15-12(18)14-9-4-2-8(13)3-5-9/h2-5,10H,6-7H2,1H3,(H,16,17)(H2,14,15,18)/p-1/t10-/m0/s1