2-[2-(6-chloranyl-3-oxidanylidene-5-sulfamoyl-1H-indazol-2-yl)ethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[2-(6-chloranyl-3-oxidanylidene-5-sulfamoyl-1H-indazol-2-yl)ethyl-(3-ethanoylsulfanyl-2-methyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(3-acetylsulfanyl-2-methyl-propanoyl)-[2-(6-chloro-3-oxo-5-sulfamoyl-1H-indazol-2-yl)ethyl]amino]acetic acid CAS Name: 2-[[3-(acetylthio)-2-methyl-1-oxopropyl]-[2-(6-chloro-3-oxo-5-sulfamoyl-1H-indazol-2-yl)ethyl]amino]acetic acid IUPAC Name: 2-[(3-acetylsulfanyl-2-methylpropanoyl)-[2-(6-chloro-3-oxo-5-sulfamoyl-1H-indazol-2-yl)ethyl]amino]acetic acid Traditional Name: 2-[[3-(acetylthio)-2-methyl-propanoyl]-[2-(6-chloro-3-keto-5-sulfamoyl-indazolin-2-yl)ethyl]amino]acetic acid Formula: C17H21ClN4O7S2 MolecularWeight: 492.95424

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N(CCN1C(=O)C2=CC(=C(C=C2N1)Cl)S(=O)(=O)N)CC(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N(CCN1C(=O)C2=CC(=C(C=C2N1)Cl)S(=O)(=O)N)CC(=O)O

InChI

InChI=1S/C17H21ClN4O7S2/c1-9(8-30-10(2)23)16(26)21(7-15(24)25)3-4-22-17(27)11-5-14(31(19,28)29)12(18)6-13(11)20-22/h5-6,9,20H,3-4,7-8H2,1-2H3,(H,24,25)(H2,19,28,29)