methyl (2S)-2-[2-[(4-fluorophenyl)sulfonylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[(4-fluorophenyl)sulfonylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[(4-fluorophenyl)sulfonylamino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[(4-fluorophenyl)sulfonylamino]acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C18H19FN2O5S MolecularWeight: 394.417263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C18H19FN2O5S/c1-26-18(23)16(11-13-5-3-2-4-6-13)21-17(22)12-20-27(24,25)15-9-7-14(19)8-10-15/h2-10,16,20H,11-12H2,1H3,(H,21,22)/t16-/m0/s1