1-[4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]piperazino]ethanone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H28N4O5S/c1-14-10-15(2)13-22(12-14)29(27,28)17-4-5-18(19(11-17)23(25)26)21-8-6-20(7-9-21)16(3)24/h4-5,11,14-15H,6-10,12-13H2,1-3H3/t14-,15-/m1/s1