N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-2-fluoranyl-N-methyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-2-fluoranyl-N-methyl-benzenesulfonamide Openeye Name: N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-2-fluoro-N-methyl-benzenesulfonamide CAS Name: N-[4-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]phenyl]-2-fluoro-N-methylbenzenesulfonamide IUPAC Name: N-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxyphenyl]-2-fluoro-N-methylbenzenesulfonamide Traditional Name: N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-2-fluoro-N-methyl-benzenesulfonamide Formula: C20H18FN5O5S MolecularWeight: 459.450823

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CN(C1=CC=C(C=C1)OC2=NC=C(C(=N2)NC3CC3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H18FN5O5S/c1-25(32(29,30)18-5-3-2-4-16(18)21)14-8-10-15(11-9-14)31-20-22-12-17(26(27)28)19(24-20)23-13-6-7-13/h2-5,8-13H,6-7H2,1H3,(H,22,23,24)