[2-[1-(dimethylamino)ethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1-(dimethylamino)ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(dimethylamino)ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-(dimethylamino)ethyl]phenyl] ester IUPAC Name: [2-[1-(dimethylamino)ethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[1-(dimethylamino)ethyl]phenyl] ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C)N(C)C

InChI

InChI=1S/C17H21NO3S/c1-13-9-11-15(12-10-13)22(19,20)21-17-8-6-5-7-16(17)14(2)18(3)4/h5-12,14H,1-4H3