N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-[4,6-bis(fluoranyl)-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-[4,6-difluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-1-(2-thienylsulfonyl)pipecolinamide Formula: C20H21F2N3O4S3 MolecularWeight: 501.590246

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F)F

Isomeric SMILES

COCCN1C2=C(C=C(C=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F)F

InChI

InChI=1S/C20H21F2N3O4S3/c1-29-9-8-24-18-14(22)11-13(21)12-16(18)31-20(24)23-19(26)15-5-2-3-7-25(15)32(27,28)17-6-4-10-30-17/h4,6,10-12,15H,2-3,5,7-9H2,1H3