cyclohexyl 5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: cyclohexyl 5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclohexyl 5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(phenethylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(phenethylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid cyclohexyl ester Formula: C28H29N3O6S MolecularWeight: 535.61136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)OC(=O)C2=NC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C28H29N3O6S/c32-26(29-18-17-20-7-3-1-4-8-20)21-11-14-24(15-12-21)38(35,36)31-27(33)22-13-16-25(30-19-22)28(34)37-23-9-5-2-6-10-23/h1,3-4,7-8,11-16,19,23H,2,5-6,9-10,17-18H2,(H,29,32)(H,31,33)