(2S)-2-[[8-(5-chloranylfuran-2-yl)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[8-(5-chloranylfuran-2-yl)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[8-(5-chloro-2-furyl)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[8-(5-chloro-2-furanyl)-3-dibenzofuranyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[8-(5-chlorofuran-2-yl)dibenzofuran-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[8-(5-chloro-2-furyl)dibenzofuran-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C21H18ClNO6S MolecularWeight: 447.88872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)C4=CC=C(O4)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(O2)C=CC(=C3)C4=CC=C(O4)Cl

InChI

InChI=1S/C21H18ClNO6S/c1-11(2)20(21(24)25)23-30(26,27)13-4-5-14-15-9-12(16-7-8-19(22)29-16)3-6-17(15)28-18(14)10-13/h3-11,20,23H,1-2H3,(H,24,25)/t20-/m0/s1