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

Systemtic Name: (E)-3-(furan-2-yl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(2-furyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(2-furanyl)-1-[4-(2-methyl-5-nitrophenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(furan-2-yl)-1-[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(2-furyl)-1-[4-(2-methyl-5-nitro-phenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=CO3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=CO3

InChI

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