N-butan-2-yl-2-[2-[(3-chlorophenyl)-methylsulfonyl-amino]butanoylamino]benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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