2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylpyrimidine

Systemtic Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitro-phenyl]sulfanylpyrimidine Openeye Name: 2-[4-[[(3S)-3-methyl-1-piperidyl]sulfonyl]-2-nitro-phenyl]sulfanylpyrimidine CAS Name: 2-[[4-[[(3S)-3-methyl-1-piperidinyl]sulfonyl]-2-nitrophenyl]thio]pyrimidine IUPAC Name: 2-[4-[(3S)-3-methylpiperidin-1-yl]sulfonyl-2-nitrophenyl]sulfanylpyrimidine Traditional Name: 2-[[4-[(3S)-3-methylpiperidino]sulfonyl-2-nitro-phenyl]thio]pyrimidine Formula: C16H18N4O4S2 MolecularWeight: 394.46852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N4O4S2/c1-12-4-2-9-19(11-12)26(23,24)13-5-6-15(14(10-13)20(21)22)25-16-17-7-3-8-18-16/h3,5-8,10,12H,2,4,9,11H2,1H3/t12-/m0/s1