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

Systemtic Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(4-mesyl-2-nitro-phenyl)piperazino]-1-piperidino-ethanone Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(=O)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C18H26N4O5S/c1-28(26,27)15-5-6-16(17(13-15)22(24)25)20-11-9-19(10-12-20)14-18(23)21-7-3-2-4-8-21/h5-6,13H,2-4,7-12,14H2,1H3