3-[(3-ethynylphenyl)sulfamoyl]-4-methyl-benzoic acid

Systemtic Name: 3-[(3-ethynylphenyl)sulfamoyl]-4-methyl-benzoic acid Openeye Name: 3-[(3-ethynylphenyl)sulfamoyl]-4-methyl-benzoic acid CAS Name: 3-[(3-ethynylphenyl)sulfamoyl]-4-methylbenzoic acid IUPAC Name: 3-[(3-ethynylphenyl)sulfamoyl]-4-methylbenzoic acid Traditional Name: 3-[(3-ethynylphenyl)sulfamoyl]-4-methyl-benzoic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO4S/c1-3-12-5-4-6-14(9-12)17-22(20,21)15-10-13(16(18)19)8-7-11(15)2/h1,4-10,17H,2H3,(H,18,19)