methyl 2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate

Systemtic Name: methyl 2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate Openeye Name: methyl 2-[3-(p-tolylsulfonylamino)propanoylamino]benzoate CAS Name: 2-[[3-[(4-methylphenyl)sulfonylamino]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzoate Traditional Name: 2-[3-(tosylamino)propanoylamino]benzoic acid methyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)NC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C18H20N2O5S/c1-13-7-9-14(10-8-13)26(23,24)19-12-11-17(21)20-16-6-4-3-5-15(16)18(22)25-2/h3-10,19H,11-12H2,1-2H3,(H,20,21)