3-[[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]carbamoyl]benzenesulfonic acid

Systemtic Name: 3-[[2-(4-chloranyl-2-methyl-phenoxy)propanoylamino]carbamoyl]benzenesulfonic acid Openeye Name: 3-[[2-(4-chloro-2-methyl-phenoxy)propanoylamino]carbamoyl]benzenesulfonic acid CAS Name: 3-[[[2-(4-chloro-2-methylphenoxy)-1-oxopropyl]hydrazo]-oxomethyl]benzenesulfonic acid IUPAC Name: 3-[[2-(4-chloro-2-methylphenoxy)propanoylamino]carbamoyl]benzenesulfonic acid Traditional Name: 3-[[2-(4-chloro-2-methyl-phenoxy)propanoylamino]carbamoyl]besylic acid Formula: C17H17ClN2O6S MolecularWeight: 412.84468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OC(C)C(=O)NNC(=O)C2=CC(=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C17H17ClN2O6S/c1-10-8-13(18)6-7-15(10)26-11(2)16(21)19-20-17(22)12-4-3-5-14(9-12)27(23,24)25/h3-9,11H,1-2H3,(H,19,21)(H,20,22)(H,23,24,25)