N-tert-butyl-2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide

Systemtic Name: N-tert-butyl-2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide Openeye Name: N-tert-butyl-2-[2-(3-chloro-N-methylsulfonyl-anilino)butanoylamino]benzamide CAS Name: N-tert-butyl-2-[[2-(3-chloro-N-methylsulfonylanilino)-1-oxobutyl]amino]benzamide IUPAC Name: N-tert-butyl-2-[2-(3-chloro-N-methylsulfonylanilino)butanoylamino]benzamide Traditional Name: N-tert-butyl-2-[2-(3-chloro-N-mesyl-anilino)butanoylamino]benzamide Formula: C22H28ClN3O4S MolecularWeight: 465.99342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1C(=O)NC(C)(C)C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1C(=O)NC(C)(C)C)N(C2=CC(=CC=C2)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H28ClN3O4S/c1-6-19(26(31(5,29)30)16-11-9-10-15(23)14-16)21(28)24-18-13-8-7-12-17(18)20(27)25-22(2,3)4/h7-14,19H,6H2,1-5H3,(H,24,28)(H,25,27)