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

Systemtic Name: 1-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine Openeye Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-nitrophenyl)sulfonyl-piperazine CAS Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-4-(3-nitrophenyl)sulfonyl-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=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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