1-(2,5-dimethylphenyl)sulfonyl-4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine

Systemtic Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine Openeye Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine CAS Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine IUPAC Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine Traditional Name: 1-(2,5-dimethylphenyl)sulfonyl-4-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)piperazine Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C20H23N3O6S/c1-14-3-4-15(2)20(11-14)30(26,27)22-7-5-21(6-8-22)16-12-18-19(29-10-9-28-18)13-17(16)23(24)25/h3-4,11-13H,5-10H2,1-2H3