(phenylmethyl) 2-[[5-(4-phenylbutylsulfonylcarbamoyl)pyridin-2-yl]carbonylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[5-(4-phenylbutylsulfonylcarbamoyl)pyridin-2-yl]carbonylamino]ethanoate Openeye Name: benzyl 2-[[5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate CAS Name: 2-[[oxo-[5-[oxo-(4-phenylbutylsulfonylamino)methyl]-2-pyridinyl]methyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-(4-phenylbutylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate Traditional Name: 2-[[5-(4-phenylbutylsulfonylcarbamoyl)picolinoyl]amino]acetic acid benzyl ester Formula: C26H27N3O6S MolecularWeight: 509.57408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCS(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCCCS(=O)(=O)NC(=O)C2=CN=C(C=C2)C(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O6S/c30-24(35-19-21-12-5-2-6-13-21)18-28-26(32)23-15-14-22(17-27-23)25(31)29-36(33,34)16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-15,17H,7-8,11,16,18-19H2,(H,28,32)(H,29,31)