1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(E)-styryl]sulfonyl-piperazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-[(E)-styryl]sulfonyl-piperazine Formula: C21H23BrN2O4S MolecularWeight: 479.38732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C21H23BrN2O4S/c22-19-15-21-20(27-11-12-28-21)14-18(19)16-23-7-9-24(10-8-23)29(25,26)13-6-17-4-2-1-3-5-17/h1-6,13-15H,7-12,16H2/b13-6+