methyl 4-chloranyl-3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-3-[2-[(4-ethoxyphenyl)-methylsulfonyl-amino]propanoylamino]benzoate Openeye Name: methyl 4-chloro-3-[2-(4-ethoxy-N-methylsulfonyl-anilino)propanoylamino]benzoate CAS Name: 4-chloro-3-[[2-(4-ethoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[2-(4-ethoxy-N-methylsulfonylanilino)propanoylamino]benzoate Traditional Name: 4-chloro-3-[2-(4-ethoxy-N-mesyl-anilino)propanoylamino]benzoic acid methyl ester Formula: C20H23ClN2O6S MolecularWeight: 454.92442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N(C(C)C(=O)NC2=C(C=CC(=C2)C(=O)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClN2O6S/c1-5-29-16-9-7-15(8-10-16)23(30(4,26)27)13(2)19(24)22-18-12-14(20(25)28-3)6-11-17(18)21/h6-13H,5H2,1-4H3,(H,22,24)