2-[[3-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylsulfanyl-2-methyl-propanoyl]-cyclopentyl-amino]ethanoic acid

Systemtic Name: 2-[[3-[4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-phenyl]carbonylsulfanyl-2-methyl-propanoyl]-cyclopentyl-amino]ethanoic acid Openeye Name: 2-[[3-[4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoyl]sulfanyl-2-methyl-propanoyl]-cyclopentyl-amino]acetic acid CAS Name: 2-[[3-[[[4-chloro-2-(2-furanylmethylamino)-5-sulfamoylphenyl]-oxomethyl]thio]-2-methyl-1-oxopropyl]-cyclopentylamino]acetic acid IUPAC Name: 2-[[3-[4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoyl]sulfanyl-2-methylpropanoyl]-cyclopentylamino]acetic acid Traditional Name: 2-[[3-[[4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoyl]thio]-2-methyl-propanoyl]-cyclopentyl-amino]acetic acid Formula: C23H28ClN3O7S2 MolecularWeight: 558.06732

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)C(=O)N(CC(=O)O)C3CCCC3

Isomeric SMILES

CC(CSC(=O)C1=CC(=C(C=C1NCC2=CC=CO2)Cl)S(=O)(=O)N)C(=O)N(CC(=O)O)C3CCCC3

InChI

InChI=1S/C23H28ClN3O7S2/c1-14(22(30)27(12-21(28)29)15-5-2-3-6-15)13-35-23(31)17-9-20(36(25,32)33)18(24)10-19(17)26-11-16-7-4-8-34-16/h4,7-10,14-15,26H,2-3,5-6,11-13H2,1H3,(H,28,29)(H2,25,32,33)