2,6-bis(azanyl)hexanoic acid; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid

Systemtic Name: 2,6-bis(azanyl)hexanoic acid; 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoic acid Openeye Name: 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoic acid; 2,6-diaminohexanoic acid CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoic acid; 2,6-diaminohexanoic acid IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid; 2,6-diaminohexanoic acid Traditional Name: 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoic acid; 2,6-diaminohexanoic acid Formula: C18H25ClN4O7S MolecularWeight: 476.9317

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl.C(CCN)CC(C(=O)O)N

Isomeric SMILES

C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl.C(CCN)CC(C(=O)O)N

InChI

InChI=1S/C12H11ClN2O5S.C6H14N2O2/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;7-4-2-1-3-5(8)6(9)10/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);5H,1-4,7-8H2,(H,9,10)