[3-[1-[(phenylmethyl)amino]ethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[1-[(phenylmethyl)amino]ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[1-(benzylamino)ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[1-[(phenylmethyl)amino]ethyl]phenyl] ester IUPAC Name: [3-[1-(benzylamino)ethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[1-(benzylamino)ethyl]phenyl] ester Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C)NCC3=CC=CC=C3

InChI

InChI=1S/C22H23NO3S/c1-17-11-13-22(14-12-17)27(24,25)26-21-10-6-9-20(15-21)18(2)23-16-19-7-4-3-5-8-19/h3-15,18,23H,16H2,1-2H3