N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-N,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-N,4-dimethyl-benzenesulfonamide Openeye Name: N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-N,4-dimethyl-benzenesulfonamide CAS Name: N-[4-[[4-(cyclopropylamino)-5-nitro-2-pyrimidinyl]oxy]phenyl]-N,4-dimethylbenzenesulfonamide IUPAC Name: N-[4-[4-(cyclopropylamino)-5-nitropyrimidin-2-yl]oxyphenyl]-N,4-dimethylbenzenesulfonamide Traditional Name: N-[4-[4-(cyclopropylamino)-5-nitro-pyrimidin-2-yl]oxyphenyl]-N,4-dimethyl-benzenesulfonamide Formula: C21H21N5O5S MolecularWeight: 455.48694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=C(C=C2)OC3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O5S/c1-14-3-11-18(12-4-14)32(29,30)25(2)16-7-9-17(10-8-16)31-21-22-13-19(26(27)28)20(24-21)23-15-5-6-15/h3-4,7-13,15H,5-6H2,1-2H3,(H,22,23,24)