3-cyclopentyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclopentyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-cyclopentyl-1-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]propan-1-one CAS Name: 3-cyclopentyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclopentyl-1-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-cyclopentyl-1-[4-(4-mesyl-2-nitro-phenyl)piperazino]propan-1-one Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CCC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O5S/c1-28(26,27)16-7-8-17(18(14-16)22(24)25)20-10-12-21(13-11-20)19(23)9-6-15-4-2-3-5-15/h7-8,14-15H,2-6,9-13H2,1H3