4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoic acid

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoic acid Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]benzoic acid CAS Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-2-oxolanyl]methyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoic acid Traditional Name: 4-[[(2S)-tetrahydrofuran-2-yl]methyl-veratryl-sulfamoyl]benzoic acid Formula: C21H25NO7S MolecularWeight: 435.4907

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2CCCO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(C[C@@H]2CCCO2)S(=O)(=O)C3=CC=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C21H25NO7S/c1-27-19-10-5-15(12-20(19)28-2)13-22(14-17-4-3-11-29-17)30(25,26)18-8-6-16(7-9-18)21(23)24/h5-10,12,17H,3-4,11,13-14H2,1-2H3,(H,23,24)/t17-/m0/s1