2-[3-(dimethylamino)-4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]phenyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[3-(dimethylamino)-4-[2-(dimethylamino)-2-oxidanylidene-ethoxy]phenyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[3-(dimethylamino)-4-[2-(dimethylamino)-2-oxo-ethoxy]phenyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[3-(dimethylamino)-4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethyl ester IUPAC Name: 2-[3-(dimethylamino)-4-[2-(dimethylamino)-2-oxoethoxy]phenyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[3-(dimethylamino)-4-[2-(dimethylamino)-2-keto-ethoxy]phenyl]ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C=C2)OCC(=O)N(C)C)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC(=C(C=C2)OCC(=O)N(C)C)N(C)C

InChI

InChI=1S/C21H28N2O5S/c1-16-6-9-18(10-7-16)29(25,26)28-13-12-17-8-11-20(19(14-17)22(2)3)27-15-21(24)23(4)5/h6-11,14H,12-13,15H2,1-5H3