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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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