(E)-3-(2-ethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2-ethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-ethoxyphenyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-ethoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethoxyphenyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]-3-o-phenetyl-prop-2-en-1-one Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=CC(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C/C(=O)N2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O6S/c1-3-31-20-7-5-4-6-18(20)9-11-22(26)23-12-14-24(15-13-23)32(29,30)21-16-19(25(27)28)10-8-17(21)2/h4-11,16H,3,12-15H2,1-2H3/b11-9+