ethyl 2-chloranyl-5-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 2-chloranyl-5-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 2-chloro-5-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 2-chloro-5-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-chloro-5-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 2-chloro-5-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H24Cl2N2O5S MolecularWeight: 487.39666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O5S/c1-4-30-21(27)17-13-16(9-10-18(17)23)24-20(26)6-5-11-25(31(3,28)29)19-12-15(22)8-7-14(19)2/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,26)