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

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

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-5-29-22(26)18-8-6-9-19(15-18)23-21(25)10-7-13-24(30(4,27)28)20-12-11-16(2)17(3)14-20/h6,8-9,11-12,14-15H,5,7,10,13H2,1-4H3,(H,23,25)