[3-[2-(dimethylamino)butyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[2-(dimethylamino)butyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(dimethylamino)butyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-(dimethylamino)butyl]phenyl] ester IUPAC Name: [3-[2-(dimethylamino)butyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(dimethylamino)butyl]phenyl] ester Formula: C19H25NO3S MolecularWeight: 347.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)N(C)C

Isomeric SMILES

CCC(CC1=CC(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C)N(C)C

InChI

InChI=1S/C19H25NO3S/c1-5-17(20(3)4)13-16-7-6-8-18(14-16)23-24(21,22)19-11-9-15(2)10-12-19/h6-12,14,17H,5,13H2,1-4H3