2-[methyl-(4-phenoxyphenyl)sulfonyl-amino]-4-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-oxidanyl-butanamide

Systemtic Name: 2-[methyl-(4-phenoxyphenyl)sulfonyl-amino]-4-[5-nitro-2,4-bis(oxidanylidene)pyrimidin-1-yl]-N-oxidanyl-butanamide Openeye Name: 2-[methyl-(4-phenoxyphenyl)sulfonyl-amino]-4-(5-nitro-2,4-dioxo-pyrimidin-1-yl)butanehydroxamic acid CAS Name: N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(5-nitro-2,4-dioxo-1-pyrimidinyl)butanamide IUPAC Name: N-hydroxy-2-[methyl-(4-phenoxyphenyl)sulfonylamino]-4-(5-nitro-2,4-dioxopyrimidin-1-yl)butanamide Traditional Name: 4-(2,4-diketo-5-nitro-pyrimidin-1-yl)-2-[methyl-(4-phenoxyphenyl)sulfonyl-amino]butanehydroxamic acid Formula: C21H21N5O9S MolecularWeight: 519.48454

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCN1C=C(C(=O)NC1=O)[N+](=O)[O-])C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CN(C(CCN1C=C(C(=O)NC1=O)[N+](=O)[O-])C(=O)NO)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H21N5O9S/c1-24(36(33,34)16-9-7-15(8-10-16)35-14-5-3-2-4-6-14)17(20(28)23-30)11-12-25-13-18(26(31)32)19(27)22-21(25)29/h2-10,13,17,30H,11-12H2,1H3,(H,23,28)(H,22,27,29)