5-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one

Systemtic Name: 5-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one Openeye Name: 5-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-thiazol-2-one CAS Name: 5-[[4-(2,4-dinitrophenyl)-1-piperazinyl]sulfonyl]-4-methyl-3H-thiazol-2-one IUPAC Name: 5-[4-(2,4-dinitrophenyl)piperazin-1-yl]sulfonyl-4-methyl-3H-1,3-thiazol-2-one Traditional Name: 5-[4-(2,4-dinitrophenyl)piperazino]sulfonyl-4-methyl-4-thiazolin-2-one Formula: C14H15N5O7S2 MolecularWeight: 429.4282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=O)N1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H15N5O7S2/c1-9-13(27-14(20)15-9)28(25,26)17-6-4-16(5-7-17)11-3-2-10(18(21)22)8-12(11)19(23)24/h2-3,8H,4-7H2,1H3,(H,15,20)