N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-mesitylsulfonyl-isonipecotamide Formula: C22H24FN3O3S2 MolecularWeight: 461.572663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCC(CC2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F)C

InChI

InChI=1S/C22H24FN3O3S2/c1-13-10-14(2)20(15(3)11-13)31(28,29)26-8-6-16(7-9-26)21(27)25-22-24-18-5-4-17(23)12-19(18)30-22/h4-5,10-12,16H,6-9H2,1-3H3,(H,24,25,27)