N-(4,6-dimethylpyrimidin-2-yl)-4-[(2,4-dinitrophenyl)amino]benzenesulfonamide

Systemtic Name: N-(4,6-dimethylpyrimidin-2-yl)-4-[(2,4-dinitrophenyl)amino]benzenesulfonamide Openeye Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2,4-dinitroanilino)benzenesulfonamide CAS Name: N-(4,6-dimethyl-2-pyrimidinyl)-4-(2,4-dinitroanilino)benzenesulfonamide IUPAC Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2,4-dinitroanilino)benzenesulfonamide Traditional Name: N-(4,6-dimethylpyrimidin-2-yl)-4-(2,4-dinitroanilino)benzenesulfonamide Formula: C18H16N6O6S MolecularWeight: 444.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C18H16N6O6S/c1-11-9-12(2)20-18(19-11)22-31(29,30)15-6-3-13(4-7-15)21-16-8-5-14(23(25)26)10-17(16)24(27)28/h3-10,21H,1-2H3,(H,19,20,22)