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

Systemtic Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methyl-phenyl] 2-chloranylbenzenesulfonate Openeye Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methyl-phenyl] 2-chlorobenzenesulfonate CAS Name: 2-chlorobenzenesulfonic acid [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methylphenyl] 2-chlorobenzenesulfonate Traditional Name: 2-chlorobenzenesulfonic acid [3-[2-(4-amidinophenyl)ethoxy]-5-methyl-phenyl] ester Formula: C22H21ClN2O4S MolecularWeight: 444.93114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2Cl)OCCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21ClN2O4S/c1-15-12-18(28-11-10-16-6-8-17(9-7-16)22(24)25)14-19(13-15)29-30(26,27)21-5-3-2-4-20(21)23/h2-9,12-14H,10-11H2,1H3,(H3,24,25)