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

Systemtic Name: ethyl 2-chloranyl-4-[4-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-chloro-4-[4-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-chloro-4-[[4-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-4-[4-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-4-[4-(N-mesyl-3,4-dimethyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27ClN2O5S/c1-5-30-22(27)19-11-9-17(14-20(19)23)24-21(26)7-6-12-25(31(4,28)29)18-10-8-15(2)16(3)13-18/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,26)