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

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C18H23N3O4S2 MolecularWeight: 409.52292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

CN1C2=CC=CC=C2SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O4S2/c1-20-14-8-4-5-9-15(14)26-18(20)19-16(22)12-27(24,25)13-17(23)21-10-6-2-3-7-11-21/h4-5,8-9H,2-3,6-7,10-13H2,1H3