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

Systemtic Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methyl-phenyl] benzenesulfonate Openeye Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-(4-carbamimidoylphenyl)ethoxy]-5-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-(4-amidinophenyl)ethoxy]-5-methyl-phenyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S/c1-16-13-19(27-12-11-17-7-9-18(10-8-17)22(23)24)15-20(14-16)28-29(25,26)21-5-3-2-4-6-21/h2-10,13-15H,11-12H2,1H3,(H3,23,24)