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

Systemtic Name: [2-[1-[(phenylmethyl)amino]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(benzylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-[(phenylmethyl)amino]propyl]phenyl] ester IUPAC Name: [2-[1-(benzylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[1-(benzylamino)propyl]phenyl] ester Formula: C23H25NO3S MolecularWeight: 395.5145

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

Isomeric SMILES

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NCC3=CC=CC=C3

InChI

InChI=1S/C23H25NO3S/c1-3-22(24-17-19-9-5-4-6-10-19)21-11-7-8-12-23(21)27-28(25,26)20-15-13-18(2)14-16-20/h4-16,22,24H,3,17H2,1-2H3