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

Systemtic Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-phenyl-methanone Openeye Name: [4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-phenyl-methanone CAS Name: [4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-phenylmethanone IUPAC Name: [4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-phenylmethanone Traditional Name: [4-(4-mesyl-2-nitro-phenyl)piperazino]-phenyl-methanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-27(25,26)15-7-8-16(17(13-15)21(23)24)19-9-11-20(12-10-19)18(22)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3