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

Systemtic Name: 2-[2-(4-methylphenyl)sulfonyloxyethyl-(phenylmethyl)amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[benzyl-[2-(p-tolylsulfonyloxy)ethyl]amino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-(4-methylphenyl)sulfonyloxyethyl-(phenylmethyl)amino]ethyl ester IUPAC Name: 2-[benzyl-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[benzyl(2-tosyloxyethyl)amino]ethyl ester Formula: C25H29NO6S2 MolecularWeight: 503.63086

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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)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H29NO6S2/c1-21-8-12-24(13-9-21)33(27,28)31-18-16-26(20-23-6-4-3-5-7-23)17-19-32-34(29,30)25-14-10-22(2)11-15-25/h3-15H,16-20H2,1-2H3