2,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2,3-dimethyl-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2,3-dimethyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-5-nitro-benzenesulfonamide Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O4S/c1-12-9-17(23(24)25)11-19(13(12)2)28(26,27)22-16-6-4-5-15(10-16)18-7-8-20-14(3)21-18/h4-11,22H,1-3H3