heptan-4-yl 2-[[5-(3-phenylpropylsulfonylcarbamoyl)pyridin-2-yl]carbonylamino]ethanoate

Systemtic Name: heptan-4-yl 2-[[5-(3-phenylpropylsulfonylcarbamoyl)pyridin-2-yl]carbonylamino]ethanoate Openeye Name: 1-propylbutyl 2-[[5-(3-phenylpropylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate CAS Name: 2-[[oxo-[5-[oxo-(3-phenylpropylsulfonylamino)methyl]-2-pyridinyl]methyl]amino]acetic acid heptan-4-yl ester IUPAC Name: heptan-4-yl 2-[[5-(3-phenylpropylsulfonylcarbamoyl)pyridine-2-carbonyl]amino]acetate Traditional Name: 2-[[5-(3-phenylpropylsulfonylcarbamoyl)picolinoyl]amino]acetic acid 1-propylbutyl ester Formula: C25H33N3O6S MolecularWeight: 503.61102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)OC(=O)CNC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CCCC(CCC)OC(=O)CNC(=O)C1=NC=C(C=C1)C(=O)NS(=O)(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C25H33N3O6S/c1-3-9-21(10-4-2)34-23(29)18-27-25(31)22-15-14-20(17-26-22)24(30)28-35(32,33)16-8-13-19-11-6-5-7-12-19/h5-7,11-12,14-15,17,21H,3-4,8-10,13,16,18H2,1-2H3,(H,27,31)(H,28,30)