[3-[2-[4-(aminomethyl)-3-oxidanyl-phenyl]ethoxy]-5-methyl-phenyl] 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [3-[2-[4-(aminomethyl)-3-oxidanyl-phenyl]ethoxy]-5-methyl-phenyl] 2,5-bis(chloranyl)benzenesulfonate Openeye Name: [3-[2-[4-(aminomethyl)-3-hydroxy-phenyl]ethoxy]-5-methyl-phenyl] 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid [3-[2-[4-(aminomethyl)-3-hydroxyphenyl]ethoxy]-5-methylphenyl] ester IUPAC Name: [3-[2-[4-(aminomethyl)-3-hydroxyphenyl]ethoxy]-5-methylphenyl] 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid [3-[2-[4-(aminomethyl)-3-hydroxy-phenyl]ethoxy]-5-methyl-phenyl] ester Formula: C22H21Cl2NO5S MolecularWeight: 482.37684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21Cl2NO5S/c1-14-8-18(29-7-6-15-2-3-16(13-25)21(26)10-15)12-19(9-14)30-31(27,28)22-11-17(23)4-5-20(22)24/h2-5,8-12,26H,6-7,13,25H2,1H3