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

Systemtic Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylpyrimidine Openeye Name: 2-[4-[[(3R,5R)-3,5-dimethyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanylpyrimidine CAS Name: 2-[[4-[[(3R,5R)-3,5-dimethyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]pyrimidine IUPAC Name: 2-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanylpyrimidine Traditional Name: 2-[[4-[(3R,5R)-3,5-dimethylpiperidino]sulfonyl-2-nitro-phenyl]thio]pyrimidine Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N4O4S2/c1-12-8-13(2)11-20(10-12)27(24,25)14-4-5-16(15(9-14)21(22)23)26-17-18-6-3-7-19-17/h3-7,9,12-13H,8,10-11H2,1-2H3/t12-,13-/m1/s1