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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

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