N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC(=NC(=N3)C)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=CC(=NC(=N3)C)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c1-13-5-10-17(11-18(13)26(27)28)31(29,30)24-16-8-6-15(7-9-16)23-19-12-20(25(3)4)22-14(2)21-19/h5-12,24H,1-4H3,(H,21,22,23)