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

Systemtic Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxidanylidene-pyridine-3-carboxamide Openeye Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxo-pyridine-3-carboxamide CAS Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxo-3-pyridinecarboxamide IUPAC Name: N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1-[(4-nitrophenyl)methyl]-2-oxopyridine-3-carboxamide Traditional Name: 2-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=CC=CN(C3=O)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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