5-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid

Systemtic Name: 5-[(3-methoxy-4-phenylmethoxy-phenyl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[(4-benzyloxy-3-methoxy-phenyl)methyl-methyl-sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylsulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(3-methoxy-4-phenylmethoxyphenyl)methyl-methylsulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[(4-benzoxy-3-methoxy-benzyl)-methyl-sulfamoyl]-3-thenoic acid Formula: C21H21NO6S2 MolecularWeight: 447.52454

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)S(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)S(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C21H21NO6S2/c1-22(30(25,26)20-11-17(14-29-20)21(23)24)12-16-8-9-18(19(10-16)27-2)28-13-15-6-4-3-5-7-15/h3-11,14H,12-13H2,1-2H3,(H,23,24)