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

Systemtic Name: 5-[[4-methoxy-3-(phenylmethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid Openeye Name: 5-[(3-benzyl-4-methoxy-phenyl)sulfamoyl]thiophene-3-carboxylic acid CAS Name: 5-[[4-methoxy-3-(phenylmethyl)phenyl]sulfamoyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[(3-benzyl-4-methoxyphenyl)sulfamoyl]thiophene-3-carboxylic acid Traditional Name: 5-[(3-benzyl-4-methoxy-phenyl)sulfamoyl]-3-thenoic acid Formula: C19H17NO5S2 MolecularWeight: 403.47198

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CS2)C(=O)O)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=CS2)C(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C19H17NO5S2/c1-25-17-8-7-16(10-14(17)9-13-5-3-2-4-6-13)20-27(23,24)18-11-15(12-26-18)19(21)22/h2-8,10-12,20H,9H2,1H3,(H,21,22)