2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonyl-N-(3-ethyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C19H25N3O4S2 MolecularWeight: 423.5495

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C19H25N3O4S2/c1-2-22-15-9-5-6-10-16(15)27-19(22)20-17(23)13-28(25,26)14-18(24)21-11-7-3-4-8-12-21/h5-6,9-10H,2-4,7-8,11-14H2,1H3