4-methyl-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-pyrimidine

Systemtic Name: 4-methyl-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanyl-pyrimidine Openeye Name: 4-methyl-2-[4-[[(3R)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanyl-pyrimidine CAS Name: 4-methyl-2-[[4-[[(3R)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]pyrimidine IUPAC Name: 4-methyl-2-[4-[(3R)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanylpyrimidine Traditional Name: 4-methyl-2-[[4-[(3R)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]pyrimidine Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC(=N3)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O4S2/c1-12-4-3-9-20(11-12)27(24,25)14-5-6-16(15(10-14)21(22)23)26-17-18-8-7-13(2)19-17/h5-8,10,12H,3-4,9,11H2,1-2H3/t12-/m1/s1