1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(4-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-nosyl-piperazine Formula: C19H20ClN3O6S MolecularWeight: 453.8966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC(=C2)Cl)COCO3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H20ClN3O6S/c20-16-9-14(19-15(10-16)12-28-13-29-19)11-21-5-7-22(8-6-21)30(26,27)18-3-1-17(2-4-18)23(24)25/h1-4,9-10H,5-8,11-13H2