N-[6-(hydroxymethyl)-2-(4-nitrophenyl)sulfanyl-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Systemtic Name: N-[6-(hydroxymethyl)-2-(4-nitrophenyl)sulfanyl-4,5-bis(oxidanyl)oxan-3-yl]ethanamide Openeye Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)sulfanyl-tetrahydropyran-3-yl]acetamide CAS Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(4-nitrophenyl)thio]-3-oxanyl]acetamide IUPAC Name: N-[4,5-dihydroxy-6-(hydroxymethyl)-2-(4-nitrophenyl)sulfanyloxan-3-yl]acetamide Traditional Name: N-[4,5-dihydroxy-6-methylol-2-[(4-nitrophenyl)thio]tetrahydropyran-3-yl]acetamide Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1SC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O

Isomeric SMILES

CC(=O)NC1C(C(C(OC1SC2=CC=C(C=C2)[N+](=O)[O-])CO)O)O

InChI

InChI=1S/C14H18N2O7S/c1-7(18)15-11-13(20)12(19)10(6-17)23-14(11)24-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)