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

Systemtic Name: [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] benzenesulfonate Openeye Name: [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] ester IUPAC Name: [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] ester Formula: C21H21NO4S MolecularWeight: 383.46074

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4S/c22-16-18-11-9-17(10-12-18)13-14-25-19-5-4-6-20(15-19)26-27(23,24)21-7-2-1-3-8-21/h1-12,15H,13-14,16,22H2