methyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-4-methyl-phenyl]sulfanylhexanoate

Systemtic Name: methyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloranyl-4-methyl-phenyl]sulfanylhexanoate Openeye Name: methyl 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]sulfanylhexanoate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]thio]hexanoic acid methyl ester IUPAC Name: methyl 2-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]sulfanylhexanoate Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]thio]hexanoic acid methyl ester Formula: C16H22ClN5O4S2 MolecularWeight: 447.95998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)SC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)NC2=NNC(=N2)N

Isomeric SMILES

CCCCC(C(=O)OC)SC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)NC2=NNC(=N2)N

InChI

InChI=1S/C16H22ClN5O4S2/c1-4-5-6-11(14(23)26-3)27-12-8-10(17)9(2)7-13(12)28(24,25)22-16-19-15(18)20-21-16/h7-8,11H,4-6H2,1-3H3,(H4,18,19,20,21,22)