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

Systemtic Name: 4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]piperazin-2-one Openeye Name: 4-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]piperazin-2-one CAS Name: 4-[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]-2-piperazinone IUPAC Name: 4-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]piperazin-2-one Traditional Name: 4-[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]piperazin-2-one Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)N3CCNC(=O)C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H24N4O5S/c1-12-7-13(2)10-20(9-12)27(25,26)14-3-4-15(16(8-14)21(23)24)19-6-5-18-17(22)11-19/h3-4,8,12-13H,5-7,9-11H2,1-2H3,(H,18,22)/t12-,13-/m1/s1