4-nitrooxybutyl 2-acetamido-3-(4-chloranyl-3-sulfamoyl-phenyl)carbonylsulfanyl-propanoate

Systemtic Name: 4-nitrooxybutyl 2-acetamido-3-(4-chloranyl-3-sulfamoyl-phenyl)carbonylsulfanyl-propanoate Openeye Name: 4-nitrooxybutyl 2-acetamido-3-(4-chloro-3-sulfamoyl-benzoyl)sulfanyl-propanoate CAS Name: 2-acetamido-3-[[(4-chloro-3-sulfamoylphenyl)-oxomethyl]thio]propanoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl 2-acetamido-3-(4-chloro-3-sulfamoylbenzoyl)sulfanylpropanoate Traditional Name: 2-acetamido-3-[(4-chloro-3-sulfamoyl-benzoyl)thio]propionic acid 4-nitrooxybutyl ester Formula: C16H20ClN3O9S2 MolecularWeight: 497.9277

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(CSC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N)C(=O)OCCCCO[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O9S2/c1-10(21)19-13(15(22)28-6-2-3-7-29-20(24)25)9-30-16(23)11-4-5-12(17)14(8-11)31(18,26)27/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,19,21)(H2,18,26,27)