3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,4,5-tris(chloranyl)-6-phenoxy-benzenesulfonic acid

Systemtic Name: 3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,4,5-tris(chloranyl)-6-phenoxy-benzenesulfonic acid Openeye Name: 3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,4,5-trichloro-6-phenoxy-benzenesulfonic acid CAS Name: 3-[[[[(4-acetamidophenyl)thio]amino]-oxomethyl]amino]-2,4,5-trichloro-6-phenoxybenzenesulfonic acid IUPAC Name: 3-[(4-acetamidophenyl)sulfanylcarbamoylamino]-2,4,5-trichloro-6-phenoxybenzenesulfonic acid Traditional Name: 3-[[(4-acetamidophenyl)thio]carbamoylamino]-2,4,5-trichloro-6-phenoxy-besylic acid Formula: C21H16Cl3N3O6S2 MolecularWeight: 576.85724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=C(C(=C(C(=C2Cl)Cl)OC3=CC=CC=C3)S(=O)(=O)O)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SNC(=O)NC2=C(C(=C(C(=C2Cl)Cl)OC3=CC=CC=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C21H16Cl3N3O6S2/c1-11(28)25-12-7-9-14(10-8-12)34-27-21(29)26-18-15(22)16(23)19(20(17(18)24)35(30,31)32)33-13-5-3-2-4-6-13/h2-10H,1H3,(H,25,28)(H2,26,27,29)(H,30,31,32)