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

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-pyridin-3-ylsulfonyl-piperazine Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-pyridylsulfonyl)piperazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-pyridinylsulfonyl)piperazine IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-pyridin-3-ylsulfonylpiperazine Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(3-pyridylsulfonyl)piperazine Formula: C18H20BrN3O4S MolecularWeight: 454.3381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20BrN3O4S/c19-16-11-18-17(25-8-9-26-18)10-14(16)13-21-4-6-22(7-5-21)27(23,24)15-2-1-3-20-12-15/h1-3,10-12H,4-9,13H2