(4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonate

Systemtic Name: (4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonate Openeye Name: (4-nitrophenyl) 2-(4-isobutylphenyl)pyridine-3-sulfonate CAS Name: 2-[4-(2-methylpropyl)phenyl]-3-pyridinesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[4-(2-methylpropyl)phenyl]pyridine-3-sulfonate Traditional Name: 2-(4-isobutylphenyl)pyridine-3-sulfonic acid (4-nitrophenyl) ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=C(C=CC=N2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=C(C=CC=N2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O5S/c1-15(2)14-16-5-7-17(8-6-16)21-20(4-3-13-22-21)29(26,27)28-19-11-9-18(10-12-19)23(24)25/h3-13,15H,14H2,1-2H3