methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yl-octanoate

Systemtic Name: methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yl-octanoate Openeye Name: methyl 8-[(4-nitrophenyl)sulfonylamino]-7-(3-pyridyl)octanoate CAS Name: 8-[(4-nitrophenyl)sulfonylamino]-7-(3-pyridinyl)octanoic acid methyl ester IUPAC Name: methyl 8-[(4-nitrophenyl)sulfonylamino]-7-pyridin-3-yloctanoate Traditional Name: 8-(nosylamino)-7-(3-pyridyl)caprylic acid methyl ester Formula: C20H25N3O6S MolecularWeight: 435.494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CN=CC=C2

Isomeric SMILES

COC(=O)CCCCCC(CNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=CN=CC=C2

InChI

InChI=1S/C20H25N3O6S/c1-29-20(24)8-4-2-3-6-17(16-7-5-13-21-14-16)15-22-30(27,28)19-11-9-18(10-12-19)23(25)26/h5,7,9-14,17,22H,2-4,6,8,15H2,1H3