N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(2-fluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-(2-fluorophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(2-fluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-benzyl-1-(2-fluorophenyl)sulfonyl-isonipecotamide Formula: C26H24FN3O3S2 MolecularWeight: 509.615463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5F

Isomeric SMILES

C1CN(CCC1C(=O)N(CC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)S(=O)(=O)C5=CC=CC=C5F

InChI

InChI=1S/C26H24FN3O3S2/c27-21-10-4-7-13-24(21)35(32,33)29-16-14-20(15-17-29)25(31)30(18-19-8-2-1-3-9-19)26-28-22-11-5-6-12-23(22)34-26/h1-13,20H,14-18H2