(E)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one Openeye Name: (E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one CAS Name: (E)-1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-3-(3-fluorophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-(3-fluorophenyl)prop-2-en-1-one Traditional Name: (E)-1-[4-(4-acetylphenyl)sulfonylpiperazino]-3-(3-fluorophenyl)prop-2-en-1-one Formula: C21H21FN2O4S MolecularWeight: 416.465843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C=CC3=CC(=CC=C3)F

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)/C=C/C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O4S/c1-16(25)18-6-8-20(9-7-18)29(27,28)24-13-11-23(12-14-24)21(26)10-5-17-3-2-4-19(22)15-17/h2-10,15H,11-14H2,1H3/b10-5+