N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-piperidine-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-1-[(E)-styryl]sulfonyl-isonipecotamide Formula: C21H20FN3O3S2 MolecularWeight: 445.530203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=C(S2)C=C(C=C3)F)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H20FN3O3S2/c22-17-6-7-18-19(14-17)29-21(23-18)24-20(26)16-8-11-25(12-9-16)30(27,28)13-10-15-4-2-1-3-5-15/h1-7,10,13-14,16H,8-9,11-12H2,(H,23,24,26)/b13-10+