ethyl 2-chloranyl-4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-4-[2-[methylsulfonyl(phenyl)amino]butanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate CAS Name: 2-chloro-4-[[2-(N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[2-(N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-4-[2-(N-mesylanilino)butanoylamino]benzoic acid ethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)C(=O)OCC)Cl)N(C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)C(=O)OCC)Cl)N(C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O5S/c1-4-18(23(29(3,26)27)15-9-7-6-8-10-15)19(24)22-14-11-12-16(17(21)13-14)20(25)28-5-2/h6-13,18H,4-5H2,1-3H3,(H,22,24)