(2S)-2-[[7-(furan-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[7-(furan-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[7-(3-furyl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[7-(3-furanyl)-3-dibenzothiophenyl]sulfonylamino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[7-(furan-3-yl)dibenzothiophen-3-yl]sulfonylamino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[7-(3-furyl)dibenzothiophen-3-yl]sulfonylamino]-3-methyl-butyric acid Formula: C21H19NO5S2 MolecularWeight: 429.50926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)C4=COC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC2=C(C=C1)C3=C(S2)C=C(C=C3)C4=COC=C4

InChI

InChI=1S/C21H19NO5S2/c1-12(2)20(21(23)24)22-29(25,26)15-4-6-17-16-5-3-13(14-7-8-27-11-14)9-18(16)28-19(17)10-15/h3-12,20,22H,1-2H3,(H,23,24)/t20-/m0/s1