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

Systemtic Name: 2-[(4-methanoylphenyl)-[2-(4-methylphenyl)sulfonyloxyethyl]amino]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[4-formyl-N-[2-(p-tolylsulfonyloxy)ethyl]anilino]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-formyl-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl ester IUPAC Name: 2-[4-formyl-N-[2-(4-methylphenyl)sulfonyloxyethyl]anilino]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[4-formyl-N-(2-tosyloxyethyl)anilino]ethyl ester Formula: C25H27NO7S2 MolecularWeight: 517.61438

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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)C=O

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)C=O

InChI

InChI=1S/C25H27NO7S2/c1-20-3-11-24(12-4-20)34(28,29)32-17-15-26(23-9-7-22(19-27)8-10-23)16-18-33-35(30,31)25-13-5-21(2)6-14-25/h3-14,19H,15-18H2,1-2H3