N-(3-acetamido-4-fluoranyl-phenyl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(3-acetamido-4-fluoranyl-phenyl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(3-acetamido-4-fluoro-phenyl)-1-(2,4-dimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(3-acetamido-4-fluorophenyl)-1-(2,4-dimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(3-acetamido-4-fluorophenyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(3-acetamido-4-fluoro-phenyl)-1-(2,4-dimethylphenyl)sulfonyl-isonipecotamide Formula: C22H26FN3O4S MolecularWeight: 447.522943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C)C

InChI

InChI=1S/C22H26FN3O4S/c1-14-4-7-21(15(2)12-14)31(29,30)26-10-8-17(9-11-26)22(28)25-18-5-6-19(23)20(13-18)24-16(3)27/h4-7,12-13,17H,8-11H2,1-3H3,(H,24,27)(H,25,28)