[4-[1-(dimethylamino)pentyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[1-(dimethylamino)pentyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1-(dimethylamino)pentyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1-(dimethylamino)pentyl]phenyl] ester IUPAC Name: [4-[1-(dimethylamino)pentyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[1-(dimethylamino)pentyl]phenyl] ester Formula: C20H27NO3S MolecularWeight: 361.49828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)N(C)C

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C)N(C)C

InChI

InChI=1S/C20H27NO3S/c1-5-6-7-20(21(3)4)17-10-12-18(13-11-17)24-25(22,23)19-14-8-16(2)9-15-19/h8-15,20H,5-7H2,1-4H3