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

Systemtic Name: [4-[1-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[1-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[1-(dimethylamino)propyl]phenyl] ester IUPAC Name: [4-[1-(dimethylamino)propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[1-(dimethylamino)propyl]phenyl] ester Formula: C18H23NO3S MolecularWeight: 333.44512

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO3S/c1-5-18(19(3)4)15-8-10-16(11-9-15)22-23(20,21)17-12-6-14(2)7-13-17/h6-13,18H,5H2,1-4H3