phenyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate

Systemtic Name: phenyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Openeye Name: phenyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate CAS Name: 5-[oxo-[[4-[2-[(1-oxo-3-phenylpropyl)amino]ethyl]phenyl]sulfonylamino]methyl]-2-pyridinecarboxylic acid phenyl ester IUPAC Name: phenyl 5-[[4-[2-(3-phenylpropanoylamino)ethyl]phenyl]sulfonylcarbamoyl]pyridine-2-carboxylate Traditional Name: 5-[[4-[2-(hydrocinnamoylamino)ethyl]phenyl]sulfonylcarbamoyl]picolinic acid phenyl ester Formula: C30H27N3O6S MolecularWeight: 557.61688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)OC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)C3=CN=C(C=C3)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C30H27N3O6S/c34-28(18-13-22-7-3-1-4-8-22)31-20-19-23-11-15-26(16-12-23)40(37,38)33-29(35)24-14-17-27(32-21-24)30(36)39-25-9-5-2-6-10-25/h1-12,14-17,21H,13,18-20H2,(H,31,34)(H,33,35)