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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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