1-[4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]sulfonylazepane

Systemtic Name: 1-[4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]sulfonylazepane Openeye Name: 1-[4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]sulfonylazepane CAS Name: 1-[4-[(4-methyl-2-pyrimidinyl)thio]-3-nitrophenyl]sulfonylazepane IUPAC Name: 1-[4-(4-methylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]sulfonylazepane Traditional Name: 1-[4-[(4-methylpyrimidin-2-yl)thio]-3-nitro-phenyl]sulfonylazepane Formula: C17H20N4O4S2 MolecularWeight: 408.4951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=NC=C1)SC2=C(C=C(C=C2)S(=O)(=O)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O4S2/c1-13-8-9-18-17(19-13)26-16-7-6-14(12-15(16)21(22)23)27(24,25)20-10-4-2-3-5-11-20/h6-9,12H,2-5,10-11H2,1H3