ethyl 2-chloranyl-5-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[2-[(3,4-dimethylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[2-(3,4-dimethyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-chloro-5-[[2-(3,4-dimethyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[2-(3,4-dimethyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-5-[2-(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:

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

InChI

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