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

Systemtic Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-ethyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-ethyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-ethylphenyl] ester IUPAC Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-ethylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[2-(4-amidinophenyl)ethoxy]-5-ethyl-phenyl] ester Formula: C23H23ClN2O4S MolecularWeight: 458.95772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H23ClN2O4S/c1-2-16-13-19(29-12-11-17-7-9-18(10-8-17)23(25)26)15-20(14-16)30-31(27,28)22-6-4-3-5-21(22)24/h3-10,13-15H,2,11-12H2,1H3,(H3,25,26)