methyl 3-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)acetyl]amino]benzoate CAS Name: 3-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]benzoate Traditional Name: 3-[[2-(5-chloro-N-mesyl-2-methyl-anilino)acetyl]amino]benzoic acid methyl ester Formula: C18H19ClN2O5S MolecularWeight: 410.87186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N(CC(=O)NC2=CC=CC(=C2)C(=O)OC)S(=O)(=O)C

InChI

InChI=1S/C18H19ClN2O5S/c1-12-7-8-14(19)10-16(12)21(27(3,24)25)11-17(22)20-15-6-4-5-13(9-15)18(23)26-2/h4-10H,11H2,1-3H3,(H,20,22)