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

Systemtic Name: [4-[1-[(phenylmethyl)amino]ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1-(benzylamino)ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1-[(phenylmethyl)amino]ethyl]phenyl] ester IUPAC Name: [4-[1-(benzylamino)ethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[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=C(C=C2)C(C)NCC3=CC=CC=C3

Isomeric SMILES

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

InChI

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