[2-[2-[(phenylmethyl)amino]propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[2-[(phenylmethyl)amino]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[2-(benzylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[2-[(phenylmethyl)amino]propyl]phenyl] ester IUPAC Name: [2-[2-(benzylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[2-(benzylamino)propyl]phenyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CC(C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2CC(C)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25NO3S/c1-18-12-14-22(15-13-18)28(25,26)27-23-11-7-6-10-21(23)16-19(2)24-17-20-8-4-3-5-9-20/h3-15,19,24H,16-17H2,1-2H3