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

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-2-nitro-benzenesulfonamide Formula: C17H14N4O4S MolecularWeight: 370.38246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4O4S/c1-12-18-10-9-15(19-12)13-5-4-6-14(11-13)20-26(24,25)17-8-3-2-7-16(17)21(22)23/h2-11,20H,1H3