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

Systemtic Name: (E)-3-(5-bromanylfuran-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(5-bromo-2-furyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(5-bromo-2-furanyl)-1-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(5-bromofuran-2-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(5-bromo-2-furyl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazino]prop-2-en-1-one Formula: C19H21BrN2O4S MolecularWeight: 453.35004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC=C(O3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC=C(O3)Br)C

InChI

InChI=1S/C19H21BrN2O4S/c1-14-3-6-17(15(2)13-14)27(24,25)22-11-9-21(10-12-22)19(23)8-5-16-4-7-18(20)26-16/h3-8,13H,9-12H2,1-2H3/b8-5+