(2E,4E)-1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]hexa-2,4-dien-1-one

Systemtic Name: (2E,4E)-1-[4-(4-bromanyl-3-methyl-phenyl)sulfonylpiperazin-1-yl]hexa-2,4-dien-1-one Openeye Name: (2E,4E)-1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazin-1-yl]hexa-2,4-dien-1-one CAS Name: (2E,4E)-1-[4-(4-bromo-3-methylphenyl)sulfonyl-1-piperazinyl]-1-hexa-2,4-dienone IUPAC Name: (2E,4E)-1-[4-(4-bromo-3-methylphenyl)sulfonylpiperazin-1-yl]hexa-2,4-dien-1-one Traditional Name: (2E,4E)-1-[4-(4-bromo-3-methyl-phenyl)sulfonylpiperazino]hexa-2,4-dien-1-one Formula: C17H21BrN2O3S MolecularWeight: 413.32924

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

Isomeric SMILES

C/C=C/C=C/C(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C17H21BrN2O3S/c1-3-4-5-6-17(21)19-9-11-20(12-10-19)24(22,23)15-7-8-16(18)14(2)13-15/h3-8,13H,9-12H2,1-2H3/b4-3+,6-5+