(3S)-3-azanyl-4-[[2-methoxy-5-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[2-methoxy-5-[[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfonylamino]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[2-methoxy-5-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]anilino]butyric acid Formula: C17H14F5N3O6S MolecularWeight: 483.366576

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C17H14F5N3O6S/c1-31-9-3-2-6(4-8(9)24-17(28)7(23)5-10(26)27)25-32(29,30)16-14(21)12(19)11(18)13(20)15(16)22/h2-4,7,25H,5,23H2,1H3,(H,24,28)(H,26,27)/t7-/m0/s1