2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylpyrimidine

Systemtic Name: 2-(2-nitro-4-piperidin-1-ylsulfonyl-phenyl)sulfanylpyrimidine Openeye Name: 2-[2-nitro-4-(1-piperidylsulfonyl)phenyl]sulfanylpyrimidine CAS Name: 2-[[2-nitro-4-(1-piperidinylsulfonyl)phenyl]thio]pyrimidine IUPAC Name: 2-(2-nitro-4-piperidin-1-ylsulfonylphenyl)sulfanylpyrimidine Traditional Name: 2-[(2-nitro-4-piperidinosulfonyl-phenyl)thio]pyrimidine Formula: C15H16N4O4S2 MolecularWeight: 380.44194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O4S2/c20-19(21)13-11-12(25(22,23)18-9-2-1-3-10-18)5-6-14(13)24-15-16-7-4-8-17-15/h4-8,11H,1-3,9-10H2