4-chloranyl-2-[[dideuterio-(3,4,5-trideuteriofuran-2-yl)methyl]amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 4-chloranyl-2-[[dideuterio-(3,4,5-trideuteriofuran-2-yl)methyl]amino]-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-[[dideuterio-(3,4,5-trideuterio-2-furyl)methyl]amino]-5-sulfamoyl-benzoic acid CAS Name: 4-chloro-2-[[dideuterio-(3,4,5-trideuterio-2-furanyl)methyl]amino]-5-sulfamoylbenzoic acid IUPAC Name: 4-chloro-2-[[dideuterio-(3,4,5-trideuteriofuran-2-yl)methyl]amino]-5-sulfamoylbenzoic acid Traditional Name: 4-chloro-2-[[dideuterio-(3,4,5-trideuterio-2-furyl)methyl]amino]-5-sulfamoyl-benzoic acid Formula: C12H11ClN2O5S MolecularWeight: 335.774949

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl

Isomeric SMILES

[2H]C1=C(OC(=C1[2H])C([2H])([2H])NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl)[2H]

InChI

InChI=1S/C12H11ClN2O5S/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19/h1-5,15H,6H2,(H,16,17)(H2,14,18,19)/i1D,2D,3D,6D2