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5-[(3-ethynylphenyl)sulfamoyl]-2-methyl-benzoic acid

5-[(3-ethynylphenyl)sulfamoyl]-2-methyl-benzoic acid

Systemtic Name:5-[(3-ethynylphenyl)sulfamoyl]-2-methyl-benzoic acid
Openeye Name:5-[(3-ethynylphenyl)sulfamoyl]-2-methyl-benzoic acid
CAS Name:5-[(3-ethynylphenyl)sulfamoyl]-2-methylbenzoic acid
IUPAC Name:5-[(3-ethynylphenyl)sulfamoyl]-2-methylbenzoic acid
Traditional Name:5-[(3-ethynylphenyl)sulfamoyl]-2-methyl-benzoic acid
Formula: C16H13NO4S
MolecularWeight: 315.34372
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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