(2S)-2-[[7-(4-cyclohexyl-1,2,3-triazol-1-yl)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[7-(4-cyclohexyl-1,2,3-triazol-1-yl)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[7-(4-cyclohexyltriazol-1-yl)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[7-(4-cyclohexyl-1-triazolyl)-2-dibenzofuranyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[7-(4-cyclohexyltriazol-1-yl)dibenzofuran-2-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[7-(4-cyclohexyltriazol-1-yl)dibenzofuran-2-yl]sulfonylamino]-3-methyl-butyric acid Formula: C25H28N4O5S MolecularWeight: 496.57862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)N4C=C(N=N4)C5CCCCC5

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)OC3=C2C=CC(=C3)N4C=C(N=N4)C5CCCCC5

InChI

InChI=1S/C25H28N4O5S/c1-15(2)24(25(30)31)27-35(32,33)18-9-11-22-20(13-18)19-10-8-17(12-23(19)34-22)29-14-21(26-28-29)16-6-4-3-5-7-16/h8-16,24,27H,3-7H2,1-2H3,(H,30,31)/t24-/m0/s1