4-(2-bromanylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-bromanylphenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(2-bromophenoxy)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(2-bromophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-bromophenoxy)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(2-bromophenoxy)-1-[4-[(E)-styryl]sulfonylpiperazino]butan-1-one Formula: C22H25BrN2O4S MolecularWeight: 493.4139

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCOC2=CC=CC=C2Br)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CCCOC2=CC=CC=C2Br)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O4S/c23-20-9-4-5-10-21(20)29-17-6-11-22(26)24-13-15-25(16-14-24)30(27,28)18-12-19-7-2-1-3-8-19/h1-5,7-10,12,18H,6,11,13-17H2/b18-12+