2-[3-[(4-chloranyl-2-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzoxazole-4-carboxylic acid

Systemtic Name: 2-[3-[(4-chloranyl-2-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzoxazole-4-carboxylic acid Openeye Name: 2-[3-[(4-chloro-2-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzoxazole-4-carboxylic acid CAS Name: 2-[3-[(4-chloro-2-methylphenyl)sulfamoyl]phenyl]-1,3-benzoxazole-4-carboxylic acid IUPAC Name: 2-[3-[(4-chloro-2-methylphenyl)sulfamoyl]phenyl]-1,3-benzoxazole-4-carboxylic acid Traditional Name: 2-[3-[(4-chloro-2-methyl-phenyl)sulfamoyl]phenyl]-1,3-benzoxazole-4-carboxylic acid Formula: C21H15ClN2O5S MolecularWeight: 442.8722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NS(=O)(=O)C2=CC=CC(=C2)C3=NC4=C(C=CC=C4O3)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NS(=O)(=O)C2=CC=CC(=C2)C3=NC4=C(C=CC=C4O3)C(=O)O

InChI

InChI=1S/C21H15ClN2O5S/c1-12-10-14(22)8-9-17(12)24-30(27,28)15-5-2-4-13(11-15)20-23-19-16(21(25)26)6-3-7-18(19)29-20/h2-11,24H,1H3,(H,25,26)