methyl 2-butyl-4-ethyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-butyl-4-ethyl-5-sulfamoyl-benzoate Openeye Name: methyl 2-butyl-4-ethyl-5-sulfamoyl-benzoate CAS Name: 2-butyl-4-ethyl-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-butyl-4-ethyl-5-sulfamoylbenzoate Traditional Name: 2-butyl-4-ethyl-5-sulfamoyl-benzoic acid methyl ester Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)CC

Isomeric SMILES

CCCCC1=CC(=C(C=C1C(=O)OC)S(=O)(=O)N)CC

InChI

InChI=1S/C14H21NO4S/c1-4-6-7-11-8-10(5-2)13(20(15,17)18)9-12(11)14(16)19-3/h8-9H,4-7H2,1-3H3,(H2,15,17,18)