2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]ethanoylamino]-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-[(4-fluorophenyl)-methylsulfonyl-amino]ethanoylamino]-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[[2-(4-fluoro-N-methylsulfonyl-anilino)acetyl]amino]-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(4-fluoro-N-methylsulfonylanilino)-1-oxoethyl]amino]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[[2-(4-fluoro-N-methylsulfonylanilino)acetyl]amino]-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[2-(4-fluoro-N-mesyl-anilino)acetyl]amino]-N-(3-pyridylmethyl)benzamide Formula: C22H21FN4O4S MolecularWeight: 456.489943

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CS(=O)(=O)N(CC(=O)NC1=CC=CC=C1C(=O)NCC2=CN=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN4O4S/c1-32(30,31)27(18-10-8-17(23)9-11-18)15-21(28)26-20-7-3-2-6-19(20)22(29)25-14-16-5-4-12-24-13-16/h2-13H,14-15H2,1H3,(H,25,29)(H,26,28)