methyl 3-(4-methylphenyl)-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate

Systemtic Name: methyl 3-(4-methylphenyl)-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate Openeye Name: methyl 3-[(4-methylsulfonylphenyl)sulfonylamino]-3-(p-tolyl)propanoate CAS Name: 3-(4-methylphenyl)-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)-3-[(4-methylsulfonylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-mesylphenyl)sulfonylamino]-3-(p-tolyl)propionic acid methyl ester Formula: C18H21NO6S2 MolecularWeight: 411.49244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(CC(=O)OC)NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H21NO6S2/c1-13-4-6-14(7-5-13)17(12-18(20)25-2)19-27(23,24)16-10-8-15(9-11-16)26(3,21)22/h4-11,17,19H,12H2,1-3H3