N-[2,3-bis(oxidanyl)propyl]-5-chloranyl-2-methylsulfonyl-4-nitro-benzamide

Systemtic Name: N-[2,3-bis(oxidanyl)propyl]-5-chloranyl-2-methylsulfonyl-4-nitro-benzamide Openeye Name: 5-chloro-N-(2,3-dihydroxypropyl)-2-methylsulfonyl-4-nitro-benzamide CAS Name: 5-chloro-N-(2,3-dihydroxypropyl)-2-methylsulfonyl-4-nitrobenzamide IUPAC Name: 5-chloro-N-(2,3-dihydroxypropyl)-2-methylsulfonyl-4-nitrobenzamide Traditional Name: 5-chloro-N-glyceryl-2-mesyl-4-nitro-benzamide Formula: C11H13ClN2O7S MolecularWeight: 352.74812

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1C(=O)NCC(CO)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1C(=O)NCC(CO)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H13ClN2O7S/c1-22(20,21)10-3-9(14(18)19)8(12)2-7(10)11(17)13-4-6(16)5-15/h2-3,6,15-16H,4-5H2,1H3,(H,13,17)