3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,5-bis(chloranyl)-4-phenoxy-benzenesulfonic acid

Systemtic Name: 3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,5-bis(chloranyl)-4-phenoxy-benzenesulfonic acid Openeye Name: 3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,5-dichloro-4-phenoxy-benzenesulfonic acid CAS Name: 3-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2,5-dichloro-4-phenoxybenzenesulfonic acid IUPAC Name: 3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,5-dichloro-4-phenoxybenzenesulfonic acid Traditional Name: 3-[[(4-acetamidophenyl)thio]carbamoylamino]-2,5-dichloro-4-phenoxy-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=C(C(=CC(=C2OC3=CC=CC=C3)Cl)S(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=C(C(=CC(=C2OC3=CC=CC=C3)Cl)S(=O)(=O)O)Cl

InChI

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