3-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[[2,5-bis(chloranyl)-3,6-dimethyl-phenyl]sulfonylamino]-4-methyl-benzoic acid Openeye Name: 3-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]-4-methyl-benzoic acid CAS Name: 3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-4-methylbenzoic acid IUPAC Name: 3-[(2,5-dichloro-3,6-dimethylphenyl)sulfonylamino]-4-methylbenzoic acid Traditional Name: 3-[(2,5-dichloro-3,6-dimethyl-phenyl)sulfonylamino]-4-methyl-benzoic acid Formula: C16H15Cl2NO4S MolecularWeight: 388.2656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=C(C(=CC(=C2C)Cl)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NS(=O)(=O)C2=C(C(=CC(=C2C)Cl)C)Cl

InChI

InChI=1S/C16H15Cl2NO4S/c1-8-4-5-11(16(20)21)7-13(8)19-24(22,23)15-10(3)12(17)6-9(2)14(15)18/h4-7,19H,1-3H3,(H,20,21)