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

Systemtic Name: N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(1-piperidylsulfonyl)benzamide CAS Name: N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-piperidin-1-ylsulfonylbenzamide Traditional Name: N-(4-methoxy-3-methyl-6-nitro-1,3-benzothiazol-2-ylidene)-4-piperidinosulfonyl-benzamide Formula: C21H22N4O6S2 MolecularWeight: 490.55258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])OC

Isomeric SMILES

CN1C2=C(C=C(C=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N4O6S2/c1-23-19-17(31-2)12-15(25(27)28)13-18(19)32-21(23)22-20(26)14-6-8-16(9-7-14)33(29,30)24-10-4-3-5-11-24/h6-9,12-13H,3-5,10-11H2,1-2H3