methyl 2-[3-[2-[(4-methylphenyl)sulfonylamino]ethylamino]-2-oxidanyl-propoxy]benzoate

Systemtic Name: methyl 2-[3-[2-[(4-methylphenyl)sulfonylamino]ethylamino]-2-oxidanyl-propoxy]benzoate Openeye Name: methyl 2-[2-hydroxy-3-[2-(p-tolylsulfonylamino)ethylamino]propoxy]benzoate CAS Name: 2-[2-hydroxy-3-[2-[(4-methylphenyl)sulfonylamino]ethylamino]propoxy]benzoic acid methyl ester IUPAC Name: methyl 2-[2-hydroxy-3-[2-[(4-methylphenyl)sulfonylamino]ethylamino]propoxy]benzoate Traditional Name: 2-[2-hydroxy-3-[2-(tosylamino)ethylamino]propoxy]benzoic acid methyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCNCC(COC2=CC=CC=C2C(=O)OC)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCNCC(COC2=CC=CC=C2C(=O)OC)O

InChI

InChI=1S/C20H26N2O6S/c1-15-7-9-17(10-8-15)29(25,26)22-12-11-21-13-16(23)14-28-19-6-4-3-5-18(19)20(24)27-2/h3-10,16,21-23H,11-14H2,1-2H3