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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O4S2/c1-12-5-9-19(10-6-12)26(23,24)13-3-4-15(14(11-13)20(21)22)25-16-17-7-2-8-18-16/h2-4,7-8,11-12H,5-6,9-10H2,1H3