[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone

Systemtic Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone Openeye Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitro-phenyl)methanone CAS Name: [4-(2-methoxyphenyl)-1-piperazinyl]-(4-methylsulfonyl-3-nitrophenyl)methanone IUPAC Name: [4-(2-methoxyphenyl)piperazin-1-yl]-(4-methylsulfonyl-3-nitrophenyl)methanone Traditional Name: (4-mesyl-3-nitro-phenyl)-[4-(2-methoxyphenyl)piperazino]methanone Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O6S/c1-28-17-6-4-3-5-15(17)20-9-11-21(12-10-20)19(23)14-7-8-18(29(2,26)27)16(13-14)22(24)25/h3-8,13H,9-12H2,1-2H3