4-[2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]ethanoylamino]benzamide

Systemtic Name: 4-[2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]ethanoylamino]benzamide Openeye Name: 4-[[2-[isopentyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]acetyl]amino]benzamide CAS Name: 4-[[2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[3-methylbutyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetyl]amino]benzamide Traditional Name: 4-[[2-[isoamyl-[3-(trifluoromethyl)phenyl]sulfonyl-amino]acetyl]amino]benzamide Formula: C21H24F3N3O4S MolecularWeight: 471.49317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)C(=O)N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)CCN(CC(=O)NC1=CC=C(C=C1)C(=O)N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O4S/c1-14(2)10-11-27(13-19(28)26-17-8-6-15(7-9-17)20(25)29)32(30,31)18-5-3-4-16(12-18)21(22,23)24/h3-9,12,14H,10-11,13H2,1-2H3,(H2,25,29)(H,26,28)