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

Systemtic Name: 4-chloranyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-chloro-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C17H13ClN4O4S MolecularWeight: 404.82752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O4S/c1-11-19-8-7-16(20-11)12-3-2-4-13(9-12)21-27(25,26)14-5-6-15(18)17(10-14)22(23)24/h2-10,21H,1H3