[4-[(2-phenylpyrimidin-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-[(2-phenylpyrimidin-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-[(2-phenylpyrimidin-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-[(2-phenyl-5-pyrimidinyl)amino]methyl]phenyl] ester IUPAC Name: [4-[(2-phenylpyrimidin-5-yl)carbamoyl]phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-[(2-phenylpyrimidin-5-yl)carbamoyl]phenyl] ester Formula: C23H16N4O6S MolecularWeight: 476.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC=C(C=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC=C(C=N2)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H16N4O6S/c28-23(26-18-14-24-22(25-15-18)16-5-2-1-3-6-16)17-9-11-20(12-10-17)33-34(31,32)21-8-4-7-19(13-21)27(29)30/h1-15H,(H,26,28)