1,3-benzodioxol-5-yl-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O7S/c1-30(26,27)14-3-4-15(16(11-14)22(24)25)20-6-8-21(9-7-20)19(23)13-2-5-17-18(10-13)29-12-28-17/h2-5,10-11H,6-9,12H2,1H3