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

Systemtic Name: (phenylmethyl) 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: benzyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[oxo-(4-phenylbutylamino)methyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-(4-phenylbutylcarbamoyl)phenyl]sulfonylcarbamoyl]picolinic acid benzyl ester Formula: C31H29N3O6S MolecularWeight: 571.64346

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCCCNC(=O)C2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C31H29N3O6S/c35-29(32-20-8-7-11-23-9-3-1-4-10-23)25-14-17-27(18-15-25)41(38,39)34-30(36)26-16-19-28(33-21-26)31(37)40-22-24-12-5-2-6-13-24/h1-6,9-10,12-19,21H,7-8,11,20,22H2,(H,32,35)(H,34,36)