4-methyl-5-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one

Systemtic Name: 4-methyl-5-[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one Openeye Name: 4-methyl-5-[4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]sulfonyl-3H-thiazol-2-one CAS Name: 4-methyl-5-[[4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]sulfonyl]-3H-thiazol-2-one IUPAC Name: 4-methyl-5-[4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one Traditional Name: 4-methyl-5-[4-(4-methyl-3-nitro-benzoyl)piperazino]sulfonyl-4-thiazolin-2-one Formula: C16H18N4O6S2 MolecularWeight: 426.46732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(NC(=O)S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=C(NC(=O)S3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O6S2/c1-10-3-4-12(9-13(10)20(23)24)14(21)18-5-7-19(8-6-18)28(25,26)15-11(2)17-16(22)27-15/h3-4,9H,5-8H2,1-2H3,(H,17,22)