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

Systemtic Name: N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-piperidine-2-carboxamide Openeye Name: N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)piperidine-2-carboxamide CAS Name: N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonyl-2-piperidinecarboxamide IUPAC Name: N-(3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide Traditional Name: N-(3-propargyl-1,3-benzothiazol-2-ylidene)-1-(2-thienylsulfonyl)pipecolinamide Formula: C20H19N3O3S3 MolecularWeight: 445.57816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S3/c1-2-12-22-15-8-3-4-10-17(15)28-20(22)21-19(24)16-9-5-6-13-23(16)29(25,26)18-11-7-14-27-18/h1,3-4,7-8,10-11,14,16H,5-6,9,12-13H2