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

Systemtic Name: 1-(4-ethanoylpiperazin-1-yl)-2-[4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[[2-(hydroxymethyl)phenyl]thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-[2-(hydroxymethyl)phenyl]sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(2-methylolphenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3CO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC=C3CO)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O5S/c1-15(22(28)24-11-9-23(10-12-24)16(2)27)17-7-8-21(19(13-17)25(29)30)31-20-6-4-3-5-18(20)14-26/h3-8,13,26H,1,9-12,14H2,2H3