ethyl 4-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate

Systemtic Name: ethyl 4-[2-[(3,5-dimethylphenyl)-methylsulfonyl-amino]propanoylamino]-3-methyl-benzoate Openeye Name: ethyl 4-[2-(3,5-dimethyl-N-methylsulfonyl-anilino)propanoylamino]-3-methyl-benzoate CAS Name: 4-[[2-(3,5-dimethyl-N-methylsulfonylanilino)-1-oxopropyl]amino]-3-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(3,5-dimethyl-N-methylsulfonylanilino)propanoylamino]-3-methylbenzoate Traditional Name: 4-[2-(N-mesyl-3,5-dimethyl-anilino)propanoylamino]-3-methyl-benzoic acid ethyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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=CC(=CC(=C2)C)C)S(=O)(=O)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-7-29-22(26)18-8-9-20(16(4)13-18)23-21(25)17(5)24(30(6,27)28)19-11-14(2)10-15(3)12-19/h8-13,17H,7H2,1-6H3,(H,23,25)