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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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