[3-[2-[4-(aminomethyl)-3-oxidanyl-phenyl]ethoxy]phenyl] benzenesulfonate

Systemtic Name: [3-[2-[4-(aminomethyl)-3-oxidanyl-phenyl]ethoxy]phenyl] benzenesulfonate Openeye Name: [3-[2-[4-(aminomethyl)-3-hydroxy-phenyl]ethoxy]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-[4-(aminomethyl)-3-hydroxyphenyl]ethoxy]phenyl] ester IUPAC Name: [3-[2-[4-(aminomethyl)-3-hydroxyphenyl]ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-[4-(aminomethyl)-3-hydroxy-phenyl]ethoxy]phenyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC(=C(C=C3)CN)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC(=C(C=C3)CN)O

InChI

InChI=1S/C21H21NO5S/c22-15-17-10-9-16(13-21(17)23)11-12-26-18-5-4-6-19(14-18)27-28(24,25)20-7-2-1-3-8-20/h1-10,13-14,23H,11-12,15,22H2