4-[(2-acetamido-3-tert-butylsulfanyl-propanoyl)sulfamoyl]benzoic acid

Systemtic Name: 4-[(2-acetamido-3-tert-butylsulfanyl-propanoyl)sulfamoyl]benzoic acid Openeye Name: 4-[(2-acetamido-3-tert-butylsulfanyl-propanoyl)sulfamoyl]benzoic acid CAS Name: 4-[[2-acetamido-3-(tert-butylthio)-1-oxopropyl]sulfamoyl]benzoic acid IUPAC Name: 4-[(2-acetamido-3-tert-butylsulfanylpropanoyl)sulfamoyl]benzoic acid Traditional Name: 4-[[2-acetamido-3-(tert-butylthio)propanoyl]sulfamoyl]benzoic acid Formula: C16H22N2O6S2 MolecularWeight: 402.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC(C)(C)C)C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC(C)(C)C)C(=O)NS(=O)(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C16H22N2O6S2/c1-10(19)17-13(9-25-16(2,3)4)14(20)18-26(23,24)12-7-5-11(6-8-12)15(21)22/h5-8,13H,9H2,1-4H3,(H,17,19)(H,18,20)(H,21,22)