1-[3-(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one

Systemtic Name: 1-[3-(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one Openeye Name: 1-[4-hydroxy-3-(hydroxymethyl)-1-piperidyl]-2-(3-nitro-4-sulfanyl-phenyl)prop-2-en-1-one CAS Name: 1-[4-hydroxy-3-(hydroxymethyl)-1-piperidinyl]-2-(4-mercapto-3-nitrophenyl)-2-propen-1-one IUPAC Name: 1-[4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-(3-nitro-4-sulfanylphenyl)prop-2-en-1-one Traditional Name: 1-(4-hydroxy-3-methylol-piperidino)-2-(4-mercapto-3-nitro-phenyl)prop-2-en-1-one Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(C(C2)CO)O

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCC(C(C2)CO)O

InChI

InChI=1S/C15H18N2O5S/c1-9(10-2-3-14(23)12(6-10)17(21)22)15(20)16-5-4-13(19)11(7-16)8-18/h2-3,6,11,13,18-19,23H,1,4-5,7-8H2