2-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]-N-(2-methylpropyl)benzamide

Systemtic Name: 2-[2-[(3-chloranyl-4-methoxy-phenyl)-methylsulfonyl-amino]propanoylamino]-N-(2-methylpropyl)benzamide Openeye Name: 2-[2-(3-chloro-4-methoxy-N-methylsulfonyl-anilino)propanoylamino]-N-isobutyl-benzamide CAS Name: 2-[[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-1-oxopropyl]amino]-N-(2-methylpropyl)benzamide IUPAC Name: 2-[2-(3-chloro-4-methoxy-N-methylsulfonylanilino)propanoylamino]-N-(2-methylpropyl)benzamide Traditional Name: 2-[2-(3-chloro-N-mesyl-4-methoxy-anilino)propanoylamino]-N-isobutyl-benzamide Formula: C22H28ClN3O5S MolecularWeight: 481.99282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C)CNC(=O)C1=CC=CC=C1NC(=O)C(C)N(C2=CC(=C(C=C2)OC)Cl)S(=O)(=O)C

InChI

InChI=1S/C22H28ClN3O5S/c1-14(2)13-24-22(28)17-8-6-7-9-19(17)25-21(27)15(3)26(32(5,29)30)16-10-11-20(31-4)18(23)12-16/h6-12,14-15H,13H2,1-5H3,(H,24,28)(H,25,27)