methyl 2-ethynyl-4-(4-methylphenyl)-5-sulfamoyl-benzoate

Systemtic Name: methyl 2-ethynyl-4-(4-methylphenyl)-5-sulfamoyl-benzoate Openeye Name: methyl 2-ethynyl-4-(p-tolyl)-5-sulfamoyl-benzoate CAS Name: 2-ethynyl-4-(4-methylphenyl)-5-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 2-ethynyl-4-(4-methylphenyl)-5-sulfamoylbenzoate Traditional Name: 2-ethynyl-4-(p-tolyl)-5-sulfamoyl-benzoic acid methyl ester Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=C(C(=C2)C#C)C(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C17H15NO4S/c1-4-12-9-14(13-7-5-11(2)6-8-13)16(23(18,20)21)10-15(12)17(19)22-3/h1,5-10H,2-3H3,(H2,18,20,21)