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

Systemtic Name: [4-[pyridin-4-ylcarbonyl-(2,4,5-trimethylphenyl)sulfonyl-amino]phenyl] pyridine-4-carboxylate Openeye Name: [4-[pyridine-4-carbonyl-(2,4,5-trimethylphenyl)sulfonyl-amino]phenyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [4-[[oxo(pyridin-4-yl)methyl]-(2,4,5-trimethylphenyl)sulfonylamino]phenyl] ester IUPAC Name: [4-[pyridine-4-carbonyl-(2,4,5-trimethylphenyl)sulfonylamino]phenyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [4-[isonicotinoyl-(2,4,5-trimethylphenyl)sulfonyl-amino]phenyl] ester Formula: C27H23N3O5S MolecularWeight: 501.55362

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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=CC=NC=C3)C(=O)C4=CC=NC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C27H23N3O5S/c1-18-16-20(3)25(17-19(18)2)36(33,34)30(26(31)21-8-12-28-13-9-21)23-4-6-24(7-5-23)35-27(32)22-10-14-29-15-11-22/h4-17H,1-3H3