N-(4-acetamido-3-methyl-phenyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(4-acetamido-3-methyl-phenyl)-1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(4-acetamido-3-methyl-phenyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(4-acetamido-3-methylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(4-acetamido-3-methylphenyl)-1-(3-chloro-4-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(4-acetamido-3-methyl-phenyl)-1-(3-chloro-4-fluoro-phenyl)sulfonyl-isonipecotamide Formula: C21H23ClFN3O4S MolecularWeight: 467.941423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)NC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl)NC(=O)C

InChI

InChI=1S/C21H23ClFN3O4S/c1-13-11-16(3-6-20(13)24-14(2)27)25-21(28)15-7-9-26(10-8-15)31(29,30)17-4-5-19(23)18(22)12-17/h3-6,11-12,15H,7-10H2,1-2H3,(H,24,27)(H,25,28)