N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[4-[[(4,6-dimethyl-2-pyrimidinyl)hydrazo]-oxomethyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[4-[[(4,6-dimethylpyrimidin-2-yl)amino]carbamoyl]phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C20H20N6O5S MolecularWeight: 456.475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC3=NC(=CC(=N3)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)NNC3=NC(=CC(=N3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O5S/c1-12-4-9-17(11-18(12)26(28)29)32(30,31)25-16-7-5-15(6-8-16)19(27)23-24-20-21-13(2)10-14(3)22-20/h4-11,25H,1-3H3,(H,23,27)(H,21,22,24)