ethyl 4-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 4-[4-[(2,5-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 4-[4-(2,5-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 4-[[4-(2,5-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2,5-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 4-[4-(N-mesyl-2,5-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=C(C=C1)NC(=O)CCCN(C2=C(C=CC(=C2)C)C)S(=O)(=O)C

Isomeric SMILES

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

InChI

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