pentyl 2-[[5-(phenethylsulfonylcarbamoyl)pyridin-2-yl]carbonylamino]ethanoate

Systemtic Name: pentyl 2-[[5-(phenethylsulfonylcarbamoyl)pyridin-2-yl]carbonylamino]ethanoate Openeye Name: pentyl 2-[[5-(phenethylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate CAS Name: 2-[[oxo-[5-[oxo-(phenethylsulfonylamino)methyl]-2-pyridinyl]methyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[[5-(phenethylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate Traditional Name: 2-[[5-(phenethylsulfonylcarbamoyl)picolinoyl]amino]acetic acid amyl ester Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CCC2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)CNC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H27N3O6S/c1-2-3-7-13-31-20(26)16-24-22(28)19-11-10-18(15-23-19)21(27)25-32(29,30)14-12-17-8-5-4-6-9-17/h4-6,8-11,15H,2-3,7,12-14,16H2,1H3,(H,24,28)(H,25,27)