ethyl 4-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(5-chloro-2-methyl-N-methylsulfonyl-anilino)propanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanoylamino]-3-methylbenzoate Traditional Name: 4-[2-(5-chloro-N-mesyl-2-methyl-anilino)propanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-6-29-21(26)16-8-10-18(14(3)11-16)23-20(25)15(4)24(30(5,27)28)19-12-17(22)9-7-13(19)2/h7-12,15H,6H2,1-5H3,(H,23,25)