2-(furan-3-ylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide

Systemtic Name: 2-(furan-3-ylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylethanamide Openeye Name: 2-(3-furylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid; N-phenylacetamide CAS Name: 2-(3-furanylmethylamino)-4-mercapto-5-sulfamoylbenzoic acid; N-phenylacetamide IUPAC Name: 2-(furan-3-ylmethylamino)-5-sulfamoyl-4-sulfanylbenzoic acid; N-phenylacetamide Traditional Name: 2-(3-furfurylamino)-4-mercapto-5-sulfamoyl-benzoic acid; N-phenylacetamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1.C1=COC=C1CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)S

Isomeric SMILES

CC(=O)NC1=CC=CC=C1.C1=COC=C1CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)S

InChI

InChI=1S/C12H12N2O5S2.C8H9NO/c13-21(17,18)11-3-8(12(15)16)9(4-10(11)20)14-5-7-1-2-19-6-7;1-7(10)9-8-5-3-2-4-6-8/h1-4,6,14,20H,5H2,(H,15,16)(H2,13,17,18);2-6H,1H3,(H,9,10)