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

Systemtic Name: 4-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: 4-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: 4-methyl-N-[3-(2-methyl-4-pyrimidinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: 4-methyl-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C3=NC(=NC=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-12-6-7-16(11-18(12)22(23)24)27(25,26)21-15-5-3-4-14(10-15)17-8-9-19-13(2)20-17/h3-11,21H,1-2H3