(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2,3-dihydrobenzofuran-5-yl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-coumaran-5-yl-1-(4-nosylpiperazino)prop-2-en-1-one Formula: C21H21N3O6S MolecularWeight: 443.47294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C1C=C(C=C2)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6S/c25-21(8-2-16-1-7-20-17(15-16)9-14-30-20)22-10-12-23(13-11-22)31(28,29)19-5-3-18(4-6-19)24(26)27/h1-8,15H,9-14H2/b8-2+