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

Systemtic Name: N-(6-fluoranyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-1-(p-tolylsulfonyl)piperidine-4-carboxamide CAS Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-1-(4-methylphenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-1-tosyl-isonipecotamide Formula: C25H24FN3O4S2 MolecularWeight: 513.604163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CO3)C4=NC5=C(S4)C=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)N(CC3=CC=CO3)C4=NC5=C(S4)C=C(C=C5)F

InChI

InChI=1S/C25H24FN3O4S2/c1-17-4-7-21(8-5-17)35(31,32)28-12-10-18(11-13-28)24(30)29(16-20-3-2-14-33-20)25-27-22-9-6-19(26)15-23(22)34-25/h2-9,14-15,18H,10-13,16H2,1H3