2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-[2-(1-azepanyl)-2-oxoethyl]sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-[2-(azepan-1-yl)-2-keto-ethyl]sulfonyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C20H22N4O6S2 MolecularWeight: 478.54188

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CS(=O)(=O)CC(=O)N3CCCCCC3

InChI

InChI=1S/C20H22N4O6S2/c1-2-9-23-16-8-7-15(24(27)28)12-17(16)31-20(23)21-18(25)13-32(29,30)14-19(26)22-10-5-3-4-6-11-22/h1,7-8,12H,3-6,9-11,13-14H2