methyl 2-[(3-hexyl-3,4-dihydropyrazol-2-yl)carbonylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(3-hexyl-3,4-dihydropyrazol-2-yl)carbonylsulfamoyl]benzoate Openeye Name: methyl 2-[(3-hexyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate CAS Name: 2-[[(3-hexyl-3,4-dihydropyrazol-2-yl)-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(3-hexyl-3,4-dihydropyrazole-2-carbonyl)sulfamoyl]benzoate Traditional Name: 2-[(5-hexyl-2-pyrazoline-1-carbonyl)sulfamoyl]benzoic acid methyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC=NN1C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

Isomeric SMILES

CCCCCCC1CC=NN1C(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H25N3O5S/c1-3-4-5-6-9-14-12-13-19-21(14)18(23)20-27(24,25)16-11-8-7-10-15(16)17(22)26-2/h7-8,10-11,13-14H,3-6,9,12H2,1-2H3,(H,20,23)