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

Systemtic Name: [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] 3-methylbenzenesulfonate Openeye Name: [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] 3-methylbenzenesulfonate CAS Name: 3-methylbenzenesulfonic acid [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] ester IUPAC Name: [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] 3-methylbenzenesulfonate Traditional Name: 3-methylbenzenesulfonic acid [3-[2-[4-(aminomethyl)phenyl]ethoxy]phenyl] ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC=C(C=C3)CN

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)OC2=CC=CC(=C2)OCCC3=CC=C(C=C3)CN

InChI

InChI=1S/C22H23NO4S/c1-17-4-2-7-22(14-17)28(24,25)27-21-6-3-5-20(15-21)26-13-12-18-8-10-19(16-23)11-9-18/h2-11,14-15H,12-13,16,23H2,1H3