N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)-4-piperidinosulfonyl-benzamide Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H20N4O5S2/c1-2-12-25-19-11-8-17(26(28)29)15-20(19)32-22(25)23-21(27)16-6-9-18(10-7-16)33(30,31)24-13-4-3-5-14-24/h1,6-11,15H,3-5,12-14H2