1-[2-[4-(4-chloranyl-2-methyl-6-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione

Systemtic Name: 1-[2-[4-(4-chloranyl-2-methyl-6-nitro-phenyl)sulfonyl-3-oxidanylidene-piperazin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-pyrimidine-2,4-dione Openeye Name: 1-[2-[4-(4-chloro-2-methyl-6-nitro-phenyl)sulfonyl-3-oxo-piperazin-1-yl]-2-oxo-ethyl]-5-methyl-pyrimidine-2,4-dione CAS Name: 1-[2-[4-(4-chloro-2-methyl-6-nitrophenyl)sulfonyl-3-oxo-1-piperazinyl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione IUPAC Name: 1-[2-[4-(4-chloro-2-methyl-6-nitrophenyl)sulfonyl-3-oxopiperazin-1-yl]-2-oxoethyl]-5-methylpyrimidine-2,4-dione Traditional Name: 1-[2-[4-(4-chloro-2-methyl-6-nitro-phenyl)sulfonyl-3-keto-piperazino]-2-keto-ethyl]-5-methyl-pyrimidine-2,4-quinone Formula: C18H18ClN5O8S MolecularWeight: 499.88222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2=O)C(=O)CN3C=C(C(=O)NC3=O)C)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CCN(CC2=O)C(=O)CN3C=C(C(=O)NC3=O)C)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O8S/c1-10-5-12(19)6-13(24(29)30)16(10)33(31,32)23-4-3-21(9-15(23)26)14(25)8-22-7-11(2)17(27)20-18(22)28/h5-7H,3-4,8-9H2,1-2H3,(H,20,27,28)