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

Systemtic Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[4-[[6-(dimethylamino)-2-methyl-4-pyrimidinyl]amino]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[4-[[6-(dimethylamino)-2-methyl-pyrimidin-4-yl]amino]phenyl]-4-nitro-benzenesulfonamide Formula: C19H20N6O4S MolecularWeight: 428.4649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC(=N1)N(C)C)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CC(=N1)N(C)C)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4S/c1-13-20-18(12-19(21-13)24(2)3)22-14-4-6-15(7-5-14)23-30(28,29)17-10-8-16(9-11-17)25(26)27/h4-12,23H,1-3H3,(H,20,21,22)