2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(4-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methyl-(p-tolylsulfonyl)amino]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)-tosyl-amino]-N-(3-pyridylmethyl)acetamide Formula: C22H21ClFN3O3S MolecularWeight: 461.936843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC=C2Cl)F)CC(=O)NCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC=C2Cl)F)CC(=O)NCC3=CN=CC=C3

InChI

InChI=1S/C22H21ClFN3O3S/c1-16-7-9-18(10-8-16)31(29,30)27(14-19-20(23)5-2-6-21(19)24)15-22(28)26-13-17-4-3-11-25-12-17/h2-12H,13-15H2,1H3,(H,26,28)