2-oxidanyl-5-[phenethyl-(phenylmethyl)sulfamoyl]benzoic acid

Systemtic Name: 2-oxidanyl-5-[phenethyl-(phenylmethyl)sulfamoyl]benzoic acid Openeye Name: 5-[benzyl(phenethyl)sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 2-hydroxy-5-[phenethyl-(phenylmethyl)sulfamoyl]benzoic acid IUPAC Name: 5-[benzyl(phenethyl)sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[benzyl(phenethyl)sulfamoyl]-2-hydroxy-benzoic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O

InChI

InChI=1S/C22H21NO5S/c24-21-12-11-19(15-20(21)22(25)26)29(27,28)23(16-18-9-5-2-6-10-18)14-13-17-7-3-1-4-8-17/h1-12,15,24H,13-14,16H2,(H,25,26)