[3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methoxy-phenyl] 2-chloranylbenzenesulfonate

Systemtic Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methoxy-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methoxy-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methoxyphenyl] ester IUPAC Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methoxyphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[2-(4-amidinophenyl)ethoxy]-5-methoxy-phenyl] ester Formula: C22H21ClN2O5S MolecularWeight: 460.93054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21ClN2O5S/c1-28-17-12-18(29-11-10-15-6-8-16(9-7-15)22(24)25)14-19(13-17)30-31(26,27)21-5-3-2-4-20(21)23/h2-9,12-14H,10-11H2,1H3,(H3,24,25)