4-[(4-aminophenyl)amino]-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-aminophenyl)amino]-2-(furan-3-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-aminoanilino)-2-(3-furylmethylamino)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-aminoanilino)-2-(3-furanylmethylamino)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-aminoanilino)-2-(furan-3-ylmethylamino)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-aminoanilino)-2-(3-furfurylamino)-5-sulfamoyl-benzoic acid Formula: C18H18N4O5S MolecularWeight: 402.42432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C(=C2)NCC3=COC=C3)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C18H18N4O5S/c19-12-1-3-13(4-2-12)22-16-8-15(21-9-11-5-6-27-10-11)14(18(23)24)7-17(16)28(20,25)26/h1-8,10,21-22H,9,19H2,(H,23,24)(H2,20,25,26)