4-chloranyl-2-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]benzoic acid

Systemtic Name: 4-chloranyl-2-[(4-methylphenyl)sulfonyl-(4-oxidanyl-4-oxidanylidene-butyl)amino]benzoic acid Openeye Name: 4-chloro-2-[(4-hydroxy-4-oxo-butyl)-(p-tolylsulfonyl)amino]benzoic acid CAS Name: 4-chloro-2-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-chloro-2-[(4-hydroxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-chloro-2-[(4-hydroxy-4-keto-butyl)-tosyl-amino]benzoic acid Formula: C18H18ClNO6S MolecularWeight: 411.85662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C2=C(C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C2=C(C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C18H18ClNO6S/c1-12-4-7-14(8-5-12)27(25,26)20(10-2-3-17(21)22)16-11-13(19)6-9-15(16)18(23)24/h4-9,11H,2-3,10H2,1H3,(H,21,22)(H,23,24)