N-butyl-2-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: N-butyl-2-[2-[(3-chloranyl-4-fluoranyl-phenyl)-methylsulfonyl-amino]ethanoylamino]benzamide Openeye Name: N-butyl-2-[[2-(3-chloro-4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]benzamide CAS Name: N-butyl-2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]benzamide IUPAC Name: N-butyl-2-[[2-(3-chloro-4-fluoro-N-methylsulfonylanilino)acetyl]amino]benzamide Traditional Name: N-butyl-2-[[2-(3-chloro-4-fluoro-N-mesyl-anilino)acetyl]amino]benzamide Formula: C20H23ClFN3O4S MolecularWeight: 455.930723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=O)CN(C2=CC(=C(C=C2)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C20H23ClFN3O4S/c1-3-4-11-23-20(27)15-7-5-6-8-18(15)24-19(26)13-25(30(2,28)29)14-9-10-17(22)16(21)12-14/h5-10,12H,3-4,11,13H2,1-2H3,(H,23,27)(H,24,26)