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

Systemtic Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-ethylbenzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-ethyl-3-benzofuranyl)-1-[4-(4-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(2-ethyl-1-benzofuran-3-yl)-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-ethylbenzofuran-3-yl)-1-(4-nosylpiperazino)prop-2-en-1-one Formula: C23H23N3O6S MolecularWeight: 469.51022

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C=CC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)/C=C/C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O6S/c1-2-21-20(19-5-3-4-6-22(19)32-21)11-12-23(27)24-13-15-25(16-14-24)33(30,31)18-9-7-17(8-10-18)26(28)29/h3-12H,2,13-16H2,1H3/b12-11+