2-fluoranyl-5-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]benzamide

Systemtic Name: 2-fluoranyl-5-[3-[(4-methylphenyl)sulfonyl-phenyl-amino]propanoylamino]benzamide Openeye Name: 2-fluoro-5-[3-[N-(p-tolylsulfonyl)anilino]propanoylamino]benzamide CAS Name: 2-fluoro-5-[[3-(N-(4-methylphenyl)sulfonylanilino)-1-oxopropyl]amino]benzamide IUPAC Name: 2-fluoro-5-[3-(N-(4-methylphenyl)sulfonylanilino)propanoylamino]benzamide Traditional Name: 2-fluoro-5-[3-(N-tosylanilino)propanoylamino]benzamide Formula: C23H22FN3O4S MolecularWeight: 455.501883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC(=C(C=C2)F)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC(=O)NC2=CC(=C(C=C2)F)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C23H22FN3O4S/c1-16-7-10-19(11-8-16)32(30,31)27(18-5-3-2-4-6-18)14-13-22(28)26-17-9-12-21(24)20(15-17)23(25)29/h2-12,15H,13-14H2,1H3,(H2,25,29)(H,26,28)