2-[[2-chloranyl-4-methylsulfonyl-3-[(E)-morpholin-4-yliminomethyl]phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione

Systemtic Name: 2-[[2-chloranyl-4-methylsulfonyl-3-[(E)-morpholin-4-yliminomethyl]phenyl]-oxidanyl-methylidene]cyclohexane-1,3-dione Openeye Name: 2-[[2-chloro-4-methylsulfonyl-3-[(E)-morpholinoiminomethyl]phenyl]-hydroxy-methylene]cyclohexane-1,3-dione CAS Name: 2-[[2-chloro-4-methylsulfonyl-3-[(E)-4-morpholinyliminomethyl]phenyl]-hydroxymethylidene]cyclohexane-1,3-dione IUPAC Name: 2-[[2-chloro-4-methylsulfonyl-3-[(E)-morpholin-4-yliminomethyl]phenyl]-hydroxymethylidene]cyclohexane-1,3-dione Traditional Name: 2-[[2-chloro-4-mesyl-3-[(E)-morpholinoiminomethyl]phenyl]-hydroxy-methylene]cyclohexane-1,3-quinone Formula: C19H21ClN2O6S MolecularWeight: 440.89784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C(=C(C=C1)C(=C2C(=O)CCCC2=O)O)Cl)C=NN3CCOCC3

Isomeric SMILES

CS(=O)(=O)C1=C(C(=C(C=C1)C(=C2C(=O)CCCC2=O)O)Cl)/C=N/N3CCOCC3

InChI

InChI=1S/C19H21ClN2O6S/c1-29(26,27)16-6-5-12(19(25)17-14(23)3-2-4-15(17)24)18(20)13(16)11-21-22-7-9-28-10-8-22/h5-6,11,25H,2-4,7-10H2,1H3/b21-11+