2-[4-aminocarbonyl-2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-aminocarbonyl-2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-4-carbamoyl-5-chloro-phenyl]sulfanylacetic acid CAS Name: 2-[[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-4-carbamoyl-5-chlorophenyl]thio]acetic acid IUPAC Name: 2-[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-4-carbamoyl-5-chlorophenyl]sulfanylacetic acid Traditional Name: 2-[[2-[(4-butyl-1,2,4-triazol-3-yl)sulfamoyl]-4-carbamoyl-5-chloro-phenyl]thio]acetic acid Formula: C15H18ClN5O5S2 MolecularWeight: 447.91692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)N)Cl)SCC(=O)O

Isomeric SMILES

CCCCN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)N)Cl)SCC(=O)O

InChI

InChI=1S/C15H18ClN5O5S2/c1-2-3-4-21-8-18-19-15(21)20-28(25,26)12-5-9(14(17)24)10(16)6-11(12)27-7-13(22)23/h5-6,8H,2-4,7H2,1H3,(H2,17,24)(H,19,20)(H,22,23)