1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[(2-chloranyl-6-fluoranyl-phenyl)methyl-(4-methylphenyl)sulfonyl-amino]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[(2-chloro-6-fluoro-phenyl)methyl-(p-tolylsulfonyl)amino]acetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(2-chloro-6-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(2-chloro-6-fluoro-benzyl)-tosyl-amino]acetyl]isonipecotamide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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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)N3CCC(CC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2=C(C=CC=C2Cl)F)CC(=O)N3CCC(CC3)C(=O)N

InChI

InChI=1S/C22H25ClFN3O4S/c1-15-5-7-17(8-6-15)32(30,31)27(13-18-19(23)3-2-4-20(18)24)14-21(28)26-11-9-16(10-12-26)22(25)29/h2-8,16H,9-14H2,1H3,(H2,25,29)