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

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylmethyl)sulfonyl-piperazine Openeye Name: 1-benzylsulfonyl-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(phenylmethyl)sulfonylpiperazine IUPAC Name: 1-benzylsulfonyl-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine Traditional Name: 1-benzylsulfonyl-4-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperazine Formula: C20H23BrN2O4S MolecularWeight: 467.37662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O4S/c21-18-13-20-19(26-10-11-27-20)12-17(18)14-22-6-8-23(9-7-22)28(24,25)15-16-4-2-1-3-5-16/h1-5,12-13H,6-11,14-15H2