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

Systemtic Name: 4-methyl-5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one Openeye Name: 4-methyl-5-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]sulfonyl-3H-thiazol-2-one CAS Name: 4-methyl-5-[[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]sulfonyl]-3H-thiazol-2-one IUPAC Name: 4-methyl-5-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one Traditional Name: 5-[4-(4-mesyl-2-nitro-phenyl)piperazino]sulfonyl-4-methyl-4-thiazolin-2-one Formula: C15H18N4O7S3 MolecularWeight: 462.52102

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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)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O7S3/c1-10-14(27-15(20)16-10)29(25,26)18-7-5-17(6-8-18)12-4-3-11(28(2,23)24)9-13(12)19(21)22/h3-4,9H,5-8H2,1-2H3,(H,16,20)