methyl 3-[3-[bis[2-(4-methylphenyl)sulfonyloxyethyl]amino]phenyl]propanoate

Systemtic Name: methyl 3-[3-[bis[2-(4-methylphenyl)sulfonyloxyethyl]amino]phenyl]propanoate Openeye Name: methyl 3-[3-[bis[2-(p-tolylsulfonyloxy)ethyl]amino]phenyl]propanoate CAS Name: 3-[3-[bis[2-(4-methylphenyl)sulfonyloxyethyl]amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-[bis[2-(4-methylphenyl)sulfonyloxyethyl]amino]phenyl]propanoate Traditional Name: 3-[3-[bis(2-tosyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C28H33NO8S2 MolecularWeight: 575.69352

Click to see the large picture

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=CC(=C3)CCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H33NO8S2/c1-22-7-12-26(13-8-22)38(31,32)36-19-17-29(25-6-4-5-24(21-25)11-16-28(30)35-3)18-20-37-39(33,34)27-14-9-23(2)10-15-27/h4-10,12-15,21H,11,16-20H2,1-3H3