2-[4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanoylamino]-N-tert-butyl-benzamide

Systemtic Name: 2-[4-[[2,5-bis(chloranyl)phenyl]-methylsulfonyl-amino]butanoylamino]-N-tert-butyl-benzamide Openeye Name: N-tert-butyl-2-[4-(2,5-dichloro-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: N-tert-butyl-2-[[4-(2,5-dichloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-tert-butyl-2-[4-(2,5-dichloro-N-mesyl-anilino)butanoylamino]benzamide Formula: C22H27Cl2N3O4S MolecularWeight: 500.43848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)CCCN(C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H27Cl2N3O4S/c1-22(2,3)26-21(29)16-8-5-6-9-18(16)25-20(28)10-7-13-27(32(4,30)31)19-14-15(23)11-12-17(19)24/h5-6,8-9,11-12,14H,7,10,13H2,1-4H3,(H,25,28)(H,26,29)