6-chloranyl-2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-3-(4-chloranylphenoxy)benzenesulfonic acid

Systemtic Name: 6-chloranyl-2-[(3-chloranyl-4-methoxy-phenyl)carbamoylamino]-3-(4-chloranylphenoxy)benzenesulfonic acid Openeye Name: 6-chloro-2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-3-(4-chlorophenoxy)benzenesulfonic acid CAS Name: 6-chloro-2-[[(3-chloro-4-methoxyanilino)-oxomethyl]amino]-3-(4-chlorophenoxy)benzenesulfonic acid IUPAC Name: 6-chloro-2-[(3-chloro-4-methoxyphenyl)carbamoylamino]-3-(4-chlorophenoxy)benzenesulfonic acid Traditional Name: 6-chloro-2-[(3-chloro-4-methoxy-phenyl)carbamoylamino]-3-(4-chlorophenoxy)besylic acid Formula: C20H15Cl3N2O6S MolecularWeight: 517.7669

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC(=C2S(=O)(=O)O)Cl)OC3=CC=C(C=C3)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)NC2=C(C=CC(=C2S(=O)(=O)O)Cl)OC3=CC=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H15Cl3N2O6S/c1-30-16-8-4-12(10-15(16)23)24-20(26)25-18-17(31-13-5-2-11(21)3-6-13)9-7-14(22)19(18)32(27,28)29/h2-10H,1H3,(H2,24,25,26)(H,27,28,29)