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

Systemtic Name: cyclohexyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: cyclohexyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid cyclohexyl ester IUPAC Name: cyclohexyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid cyclohexyl ester Formula: C30H33N3O6S MolecularWeight: 563.66452

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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)NCCCCC4=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)NCCCCC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O6S/c34-28(31-20-8-7-11-22-9-3-1-4-10-22)23-14-17-26(18-15-23)40(37,38)33-29(35)24-16-19-27(32-21-24)30(36)39-25-12-5-2-6-13-25/h1,3-4,9-10,14-19,21,25H,2,5-8,11-13,20H2,(H,31,34)(H,33,35)