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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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