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

Systemtic Name: [3-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[2-(dimethylamino)propyl]phenyl] ester IUPAC Name: [3-[2-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[2-(dimethylamino)propyl]phenyl] ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C)N(C)C

InChI

InChI=1S/C18H23NO3S/c1-14-8-10-18(11-9-14)23(20,21)22-17-7-5-6-16(13-17)12-15(2)19(3)4/h5-11,13,15H,12H2,1-4H3