ethyl 3-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate

Systemtic Name: ethyl 3-[4-[(5-chloranyl-2-methyl-phenyl)-methylsulfonyl-amino]butanoylamino]benzoate Openeye Name: ethyl 3-[4-(5-chloro-2-methyl-N-methylsulfonyl-anilino)butanoylamino]benzoate CAS Name: 3-[[4-(5-chloro-2-methyl-N-methylsulfonylanilino)-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoylamino]benzoate Traditional Name: 3-[4-(5-chloro-N-mesyl-2-methyl-anilino)butanoylamino]benzoic acid ethyl ester Formula: C21H25ClN2O5S MolecularWeight: 452.9516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O5S/c1-4-29-21(26)16-7-5-8-18(13-16)23-20(25)9-6-12-24(30(3,27)28)19-14-17(22)11-10-15(19)2/h5,7-8,10-11,13-14H,4,6,9,12H2,1-3H3,(H,23,25)