methyl 4-chloranyl-3-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[methylsulfonyl-(4-propoxyphenyl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-propoxy-anilino)acetyl]amino]benzoate CAS Name: 4-chloro-3-[[2-(N-methylsulfonyl-4-propoxyanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-(N-methylsulfonyl-4-propoxyanilino)acetyl]amino]benzoate Traditional Name: 4-chloro-3-[[2-(N-mesyl-4-propoxy-anilino)acetyl]amino]benzoic acid methyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)N(CC(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O6S/c1-4-11-29-16-8-6-15(7-9-16)23(30(3,26)27)13-19(24)22-18-12-14(20(25)28-2)5-10-17(18)21/h5-10,12H,4,11,13H2,1-3H3,(H,22,24)