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

Systemtic Name: [3-[2-[4-(aminomethyl)-3-oxidanyl-phenyl]ethoxy]-5-ethyl-phenyl] 2,3-bis(chloranyl)benzenesulfonate Openeye Name: [3-[2-[4-(aminomethyl)-3-hydroxy-phenyl]ethoxy]-5-ethyl-phenyl] 2,3-dichlorobenzenesulfonate CAS Name: 2,3-dichlorobenzenesulfonic acid [3-[2-[4-(aminomethyl)-3-hydroxyphenyl]ethoxy]-5-ethylphenyl] ester IUPAC Name: [3-[2-[4-(aminomethyl)-3-hydroxyphenyl]ethoxy]-5-ethylphenyl] 2,3-dichlorobenzenesulfonate Traditional Name: 2,3-dichlorobenzenesulfonic acid [3-[2-[4-(aminomethyl)-3-hydroxy-phenyl]ethoxy]-5-ethyl-phenyl] ester Formula: C23H23Cl2NO5S MolecularWeight: 496.40342

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)OCCC3=CC(=C(C=C3)CN)O

Isomeric SMILES

CCC1=CC(=CC(=C1)OS(=O)(=O)C2=C(C(=CC=C2)Cl)Cl)OCCC3=CC(=C(C=C3)CN)O

InChI

InChI=1S/C23H23Cl2NO5S/c1-2-15-10-18(30-9-8-16-6-7-17(14-26)21(27)12-16)13-19(11-15)31-32(28,29)22-5-3-4-20(24)23(22)25/h3-7,10-13,27H,2,8-9,14,26H2,1H3