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

Systemtic Name: ethyl 3-chloranyl-4-[2-[(4-methylphenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[2-(4-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-chloro-4-[[2-(4-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[2-(4-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-chloro-4-[2-(N-mesyl-4-methyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-5-19(24(30(4,27)28)16-10-7-14(3)8-11-16)20(25)23-18-12-9-15(13-17(18)22)21(26)29-6-2/h7-13,19H,5-6H2,1-4H3,(H,23,25)