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

Systemtic Name: 1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-4-(2-nitrophenyl)sulfonyl-piperazine Formula: C19H20BrN3O6S MolecularWeight: 498.3476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2Br)OCCO3)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C19H20BrN3O6S/c20-15-12-18-17(28-9-10-29-18)11-14(15)13-21-5-7-22(8-6-21)30(26,27)19-4-2-1-3-16(19)23(24)25/h1-4,11-12H,5-10,13H2