(E)-3-(furan-2-yl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(furan-2-yl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-furyl)-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-furanyl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(furan-2-yl)-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]prop-2-en-1-one Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-28(25,26)15-5-6-16(17(13-15)21(23)24)19-8-10-20(11-9-19)18(22)7-4-14-3-2-12-27-14/h2-7,12-13H,8-11H2,1H3/b7-4+