3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(3-ethynylphenyl)sulfamoyl]-4,5-dimethyl-benzoic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C#C)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)NC2=CC=CC(=C2)C#C)C

InChI

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