ethyl 3-chloranyl-4-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[2-[[4-(dimethylcarbamoyl)phenyl]-methylsulfonyl-amino]ethanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonyl-anilino]acetyl]amino]benzoate CAS Name: 3-chloro-4-[[2-[4-[dimethylamino(oxo)methyl]-N-methylsulfonylanilino]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[[2-[4-(dimethylcarbamoyl)-N-methylsulfonylanilino]acetyl]amino]benzoate Traditional Name: 3-chloro-4-[[2-[4-(dimethylcarbamoyl)-N-mesyl-anilino]acetyl]amino]benzoic acid ethyl ester Formula: C21H24ClN3O6S MolecularWeight: 481.94976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(=O)N(C)C)S(=O)(=O)C)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)CN(C2=CC=C(C=C2)C(=O)N(C)C)S(=O)(=O)C)Cl

InChI

InChI=1S/C21H24ClN3O6S/c1-5-31-21(28)15-8-11-18(17(22)12-15)23-19(26)13-25(32(4,29)30)16-9-6-14(7-10-16)20(27)24(2)3/h6-12H,5,13H2,1-4H3,(H,23,26)