(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-(4-mesyl-2-nitro-phenyl)piperazino]methanone Formula: C20H20ClN3O7S MolecularWeight: 481.9067

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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)Cl)OCCO4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O7S/c1-32(28,29)14-2-3-16(17(12-14)24(26)27)22-4-6-23(7-5-22)20(25)13-10-15(21)19-18(11-13)30-8-9-31-19/h2-3,10-12H,4-9H2,1H3