methyl 2-ethynyl-4-methyl-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-ethynyl-4-methyl-5-sulfamoyl-benzoate Openeye Name: methyl 2-ethynyl-4-methyl-5-sulfamoyl-benzoate CAS Name: 2-ethynyl-4-methyl-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-methyl-5-sulfamoylbenzoate Traditional Name: 2-ethynyl-4-methyl-5-sulfamoyl-benzoic acid methyl ester Formula: C11H11NO4S MolecularWeight: 253.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C#C)C(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C(=C1)C#C)C(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C11H11NO4S/c1-4-8-5-7(2)10(17(12,14)15)6-9(8)11(13)16-3/h1,5-6H,2-3H3,(H2,12,14,15)