3-[(4-methylsulfonylphenyl)sulfonyl-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethyl]amino]-N-oxidanyl-propanamide

Systemtic Name: 3-[(4-methylsulfonylphenyl)sulfonyl-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethyl]amino]-N-oxidanyl-propanamide Openeye Name: 3-[(4-methylsulfonylphenyl)sulfonyl-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethyl]amino]propanehydroxamic acid CAS Name: N-hydroxy-3-[(4-methylsulfonylphenyl)sulfonyl-[2-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)ethyl]amino]propanamide IUPAC Name: N-hydroxy-3-[(4-methylsulfonylphenyl)sulfonyl-[2-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)ethyl]amino]propanamide Traditional Name: 3-[(4-mesylphenyl)sulfonyl-[2-(6-thioxocyclohexa-1,3-dien-1-yl)ethyl]amino]propanehydroxamic acid Formula: C18H22N2O6S3 MolecularWeight: 458.57208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CCC2=S)CCC(=O)NO

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CCC2=CC=CCC2=S)CCC(=O)NO

InChI

InChI=1S/C18H22N2O6S3/c1-28(23,24)15-6-8-16(9-7-15)29(25,26)20(13-11-18(21)19-22)12-10-14-4-2-3-5-17(14)27/h2-4,6-9,22H,5,10-13H2,1H3,(H,19,21)