2-[4-(5-chloranyl-2-methoxy-phenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-[4-(5-chloranyl-2-methoxy-phenyl)sulfanyl-3-nitro-phenyl]-1-(4-ethanoylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(5-chloro-2-methoxy-phenyl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[4-[(5-chloro-2-methoxyphenyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[4-(5-chloro-2-methoxyphenyl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: 1-(4-acetylpiperazino)-2-[4-[(5-chloro-2-methoxy-phenyl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C22H22ClN3O5S MolecularWeight: 475.94518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5S/c1-14(22(28)25-10-8-24(9-11-25)15(2)27)16-4-7-20(18(12-16)26(29)30)32-21-13-17(23)5-6-19(21)31-3/h4-7,12-13H,1,8-11H2,2-3H3