2-[4-(2-diethylaminoethyloxy)phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[4-(2-diethylaminoethyloxy)phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-(2-diethylaminoethyloxy)phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-(2-diethylaminoethyloxy)phenyl]ethyl ester IUPAC Name: 2-[4-(2-diethylaminoethyloxy)phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-(2-diethylaminoethyloxy)phenyl]ethyl ester Formula: C21H29NO4S MolecularWeight: 391.52426

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H29NO4S/c1-4-22(5-2)15-17-25-20-10-8-19(9-11-20)14-16-26-27(23,24)21-12-6-18(3)7-13-21/h6-13H,4-5,14-17H2,1-3H3