N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxo-pyridine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxo-3-pyridinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-6-oxopyridine-3-carboxamide Traditional Name: 6-keto-N-(6-mesyl-1,3-benzothiazol-2-yl)-1-(4-nitrobenzyl)nicotinamide Formula: C21H16N4O6S2 MolecularWeight: 484.50494

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CN(C(=O)C=C3)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O6S2/c1-33(30,31)16-7-8-17-18(10-16)32-21(22-17)23-20(27)14-4-9-19(26)24(12-14)11-13-2-5-15(6-3-13)25(28)29/h2-10,12H,11H2,1H3,(H,22,23,27)