ethyl 3-chloranyl-4-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 3-chloranyl-4-[4-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 3-chloro-4-[4-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-chloro-4-[[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-chloro-4-[4-(3-chloro-4-methoxy-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-chloro-4-[4-(3-chloro-N-mesyl-4-methoxy-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H24Cl2N2O6S MolecularWeight: 503.39606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24Cl2N2O6S/c1-4-31-21(27)14-7-9-18(16(22)12-14)24-20(26)6-5-11-25(32(3,28)29)15-8-10-19(30-2)17(23)13-15/h7-10,12-13H,4-6,11H2,1-3H3,(H,24,26)