[4-[pyridin-3-ylcarbonyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl] pyridine-3-carboxylate

Systemtic Name: [4-[pyridin-3-ylcarbonyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl] pyridine-3-carboxylate Openeye Name: [4-[pyridine-3-carbonyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [4-[[oxo(3-pyridinyl)methyl]-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[pyridine-3-carbonyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]phenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [4-[nicotinoyl-(2,3,5,6-tetramethylphenyl)sulfonyl-amino]phenyl] ester Formula: C28H25N3O5S MolecularWeight: 515.5802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N(C2=CC=C(C=C2)OC(=O)C3=CN=CC=C3)C(=O)C4=CN=CC=C4)C)C

InChI

InChI=1S/C28H25N3O5S/c1-18-15-19(2)21(4)26(20(18)3)37(34,35)31(27(32)22-7-5-13-29-16-22)24-9-11-25(12-10-24)36-28(33)23-8-6-14-30-17-23/h5-17H,1-4H3