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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC(=C3)CO)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C(=C)C2=CC(=C(C=C2)SC3=CC=CC(=C3)CO)[N+](=O)[O-]

InChI

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