4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]benzenesulfonic acid

Systemtic Name: 4-[2-(4-chloranyl-2-methyl-phenoxy)ethanoylamino]benzenesulfonic acid Openeye Name: 4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]benzenesulfonic acid CAS Name: 4-[[2-(4-chloro-2-methylphenoxy)-1-oxoethyl]amino]benzenesulfonic acid IUPAC Name: 4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzenesulfonic acid Traditional Name: 4-[[2-(4-chloro-2-methyl-phenoxy)acetyl]amino]besylic acid Formula: C15H14ClNO5S MolecularWeight: 355.79336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H14ClNO5S/c1-10-8-11(16)2-7-14(10)22-9-15(18)17-12-3-5-13(6-4-12)23(19,20)21/h2-8H,9H2,1H3,(H,17,18)(H,19,20,21)