1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 1-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 1-[(2R,6R)-2,6-dimethylpiperidino]-2-[4-(2-nitrophenyl)sulfonylpiperazino]ethanone Formula: C19H28N4O5S MolecularWeight: 424.51442

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1C(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])C

InChI

InChI=1S/C19H28N4O5S/c1-15-6-5-7-16(2)22(15)19(24)14-20-10-12-21(13-11-20)29(27,28)18-9-4-3-8-17(18)23(25)26/h3-4,8-9,15-16H,5-7,10-14H2,1-2H3/t15-,16-/m1/s1