2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenoxy]-5-chloranyl-benzenesulfonic acid

Systemtic Name: 2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloranyl-phenoxy]-5-chloranyl-benzenesulfonic acid Openeye Name: 2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chloro-phenoxy]-5-chloro-benzenesulfonic acid CAS Name: 2-[4-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2-chlorophenoxy]-5-chlorobenzenesulfonic acid IUPAC Name: 2-[4-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2-chlorophenoxy]-5-chlorobenzenesulfonic acid Traditional Name: 2-[4-[[(4-acetamidophenyl)thio]carbamoylamino]-2-chloro-phenoxy]-5-chloro-besylic acid Formula: C21H17Cl2N3O6S2 MolecularWeight: 542.41218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=CC(=C(C=C2)OC3=C(C=C(C=C3)Cl)S(=O)(=O)O)Cl

InChI

InChI=1S/C21H17Cl2N3O6S2/c1-12(27)24-14-3-6-16(7-4-14)33-26-21(28)25-15-5-9-18(17(23)11-15)32-19-8-2-13(22)10-20(19)34(29,30)31/h2-11H,1H3,(H,24,27)(H2,25,26,28)(H,29,30,31)