[3-[2-(4-carbamimidoylphenyl)ethoxy]-5-chloranyl-phenyl] 2-chloranyl-4-fluoranyl-benzenesulfonate

Systemtic Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-chloranyl-phenyl] 2-chloranyl-4-fluoranyl-benzenesulfonate Openeye Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-chloro-phenyl] 2-chloro-4-fluoro-benzenesulfonate CAS Name: 2-chloro-4-fluorobenzenesulfonic acid [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-chlorophenyl] ester IUPAC Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-chlorophenyl] 2-chloro-4-fluorobenzenesulfonate Traditional Name: 2-chloro-4-fluoro-benzenesulfonic acid [3-[2-(4-amidinophenyl)ethoxy]-5-chloro-phenyl] ester Formula: C21H17Cl2FN2O4S MolecularWeight: 483.340083

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCOC2=CC(=CC(=C2)Cl)OS(=O)(=O)C3=C(C=C(C=C3)F)Cl)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1CCOC2=CC(=CC(=C2)Cl)OS(=O)(=O)C3=C(C=C(C=C3)F)Cl)C(=N)N

InChI

InChI=1S/C21H17Cl2FN2O4S/c22-15-9-17(29-8-7-13-1-3-14(4-2-13)21(25)26)12-18(10-15)30-31(27,28)20-6-5-16(24)11-19(20)23/h1-6,9-12H,7-8H2,(H3,25,26)