2-[(4-fluorophenyl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(4-fluorophenyl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-fluoro-N-[2-(p-tolylsulfonyloxy)ethyl]anilino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl ester IUPAC Name: 2-[4-fluoro-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-fluoro-N-(2-tosyloxyethyl)anilino]ethyl ester Formula: C24H26FNO6S2 MolecularWeight: 507.594743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C24H26FNO6S2/c1-19-3-11-23(12-4-19)33(27,28)31-17-15-26(22-9-7-21(25)8-10-22)16-18-32-34(29,30)24-13-5-20(2)6-14-24/h3-14H,15-18H2,1-2H3