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

Systemtic Name: aniline; 2-(furan-3-ylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid Openeye Name: aniline; 2-(3-furylmethylamino)-5-sulfamoyl-4-sulfanyl-benzoic acid CAS Name: aniline; 2-(3-furanylmethylamino)-4-mercapto-5-sulfamoylbenzoic acid IUPAC Name: aniline; 2-(furan-3-ylmethylamino)-5-sulfamoyl-4-sulfanylbenzoic acid Traditional Name: 2-(3-furfurylamino)-4-mercapto-5-sulfamoyl-benzoic acid; phenylamine Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O5S2.C6H7N/c13-21(17,18)11-3-8(12(15)16)9(4-10(11)20)14-5-7-1-2-19-6-7;7-6-4-2-1-3-5-6/h1-4,6,14,20H,5H2,(H,15,16)(H2,13,17,18);1-5H,7H2