(E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-14-3-4-15(2)17(13-14)29(26,27)21-11-9-20(10-12-21)18(23)7-5-16-6-8-19(28-16)22(24)25/h3-8,13H,9-12H2,1-2H3/b7-5+