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

Systemtic Name: pentyl 2-[[5-[(phenylmethyl)sulfonylcarbamoyl]pyridin-2-yl]carbonylamino]ethanoate Openeye Name: pentyl 2-[[5-(benzylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate CAS Name: 2-[[oxo-[5-[oxo-[(phenylmethyl)sulfonylamino]methyl]-2-pyridinyl]methyl]amino]acetic acid pentyl ester IUPAC Name: pentyl 2-[[5-(benzylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate Traditional Name: 2-[[5-(benzylsulfonylcarbamoyl)picolinoyl]amino]acetic acid amyl ester Formula: C21H25N3O6S MolecularWeight: 447.5047

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)CNC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)CNC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6S/c1-2-3-7-12-30-19(25)14-23-21(27)18-11-10-17(13-22-18)20(26)24-31(28,29)15-16-8-5-4-6-9-16/h4-6,8-11,13H,2-3,7,12,14-15H2,1H3,(H,23,27)(H,24,26)