N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4-fluoranyl-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4-fluoro-1,3-benzothiazol-2-yl)-N-(phenylmethyl)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-benzyl-N-(4-fluoro-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pipecolinamide Formula: C24H22FN3O3S3 MolecularWeight: 515.643183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC=C4S3)F)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CCN(C(C1)C(=O)N(CC2=CC=CC=C2)C3=NC4=C(C=CC=C4S3)F)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C24H22FN3O3S3/c25-18-10-6-12-20-22(18)26-24(33-20)27(16-17-8-2-1-3-9-17)23(29)19-11-4-5-14-28(19)34(30,31)21-13-7-15-32-21/h1-3,6-10,12-13,15,19H,4-5,11,14,16H2