N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C20H18FN3O3S3 MolecularWeight: 463.568623

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)C3CCCCN3S(=O)(=O)C4=CC=CS4)F

InChI

InChI=1S/C20H18FN3O3S3/c1-2-11-23-18-14(21)7-5-9-16(18)29-20(23)22-19(25)15-8-3-4-12-24(15)30(26,27)17-10-6-13-28-17/h1,5-7,9-10,13,15H,3-4,8,11-12H2