ethyl 4-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)N(C2=CC(=C(C=C2)C)C)S(=O)(=O)C

InChI

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