1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-thiophen-3-yl-ethanone

Systemtic Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-thiophen-3-yl-ethanone Openeye Name: 1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-2-(3-thienyl)ethanone CAS Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-2-(3-thiophenyl)ethanone IUPAC Name: 1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-2-thiophen-3-ylethanone Traditional Name: 1-[4-(4-mesyl-2-nitro-phenyl)piperazino]-2-(3-thienyl)ethanone Formula: C17H19N3O5S2 MolecularWeight: 409.47986

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CSC=C3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CC3=CSC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5S2/c1-27(24,25)14-2-3-15(16(11-14)20(22)23)18-5-7-19(8-6-18)17(21)10-13-4-9-26-12-13/h2-4,9,11-12H,5-8,10H2,1H3