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

Systemtic Name: 1-[3-(hydroxymethyl)-4-oxidanyl-piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanyl-phenyl]prop-2-en-1-one Openeye Name: 1-[4-hydroxy-3-(hydroxymethyl)-1-piperidyl]-2-[4-(2-isopropylphenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-[4-hydroxy-3-(hydroxymethyl)-1-piperidinyl]-2-[3-nitro-4-[(2-propan-2-ylphenyl)thio]phenyl]-2-propen-1-one IUPAC Name: 1-[4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]-2-[3-nitro-4-(2-propan-2-ylphenyl)sulfanylphenyl]prop-2-en-1-one Traditional Name: 1-(4-hydroxy-3-methylol-piperidino)-2-[3-nitro-4-(o-cumenylthio)phenyl]prop-2-en-1-one Formula: C24H28N2O5S MolecularWeight: 456.55452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)CO)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(C=C(C=C2)C(=C)C(=O)N3CCC(C(C3)CO)O)[N+](=O)[O-]

InChI

InChI=1S/C24H28N2O5S/c1-15(2)19-6-4-5-7-22(19)32-23-9-8-17(12-20(23)26(30)31)16(3)24(29)25-11-10-21(28)18(13-25)14-27/h4-9,12,15,18,21,27-28H,3,10-11,13-14H2,1-2H3