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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoate Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-tetrahydrofuran-2-yl]methyl]sulfamoyl]benzoate CAS Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-2-oxolanyl]methyl]sulfamoyl]benzoate IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl-[[(2S)-oxolan-2-yl]methyl]sulfamoyl]benzoate Traditional Name: 4-[[(2S)-tetrahydrofuran-2-yl]methyl-veratryl-sulfamoyl]benzoate Formula: C21H24NO7S- MolecularWeight: 434.48276

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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)/p-1/t17-/m0/s1