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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-piperidine-3-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(p-tolylsulfonyl)piperidine-3-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonyl-3-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-tosyl-nipecotamide Formula: C20H20FN3O3S2 MolecularWeight: 433.519503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F

InChI

InChI=1S/C20H20FN3O3S2/c1-13-4-7-16(8-5-13)29(26,27)24-10-2-3-14(12-24)19(25)23-20-22-17-9-6-15(21)11-18(17)28-20/h4-9,11,14H,2-3,10,12H2,1H3,(H,22,23,25)