3-(4-dimethylaminophenyl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(4-dimethylaminophenyl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(4-dimethylaminophenyl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(4-dimethylaminophenyl)propyl ester IUPAC Name: 3-(4-dimethylaminophenyl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(4-dimethylaminophenyl)propyl ester Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=C(C=C2)N(C)C

InChI

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