[2-[1-[(phenylmethyl)amino]ethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1-[(phenylmethyl)amino]ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(benzylamino)ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-[(phenylmethyl)amino]ethyl]phenyl] ester IUPAC Name: [2-[1-(benzylamino)ethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[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=C2C(C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)NCC3=CC=CC=C3

InChI

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