7,10-dimethyl-4,13-bis[(8-nitroquinolin-2-yl)methyl]-1-thia-4,7,10,13-tetrazacyclopentadecane

Systemtic Name: 7,10-dimethyl-4,13-bis[(8-nitroquinolin-2-yl)methyl]-1-thia-4,7,10,13-tetrazacyclopentadecane Openeye Name: 7,10-dimethyl-4,13-bis[(8-nitro-2-quinolyl)methyl]-1-thia-4,7,10,13-tetrazacyclopentadecane CAS Name: 7,10-dimethyl-4,13-bis[(8-nitro-2-quinolinyl)methyl]-1-thia-4,7,10,13-tetrazacyclopentadecane IUPAC Name: 7,10-dimethyl-4,13-bis[(8-nitroquinolin-2-yl)methyl]-1-thia-4,7,10,13-tetrazacyclopentadecane Traditional Name: 7,10-dimethyl-4,13-bis[(8-nitro-2-quinolyl)methyl]-1-thia-4,7,10,13-tetrazacyclopentadecane Formula: C32H40N8O4S MolecularWeight: 632.7762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CCN(CCSCCN(CC1)CC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)CC4=NC5=C(C=CC=C5[N+](=O)[O-])C=C4)C

Isomeric SMILES

CN1CCN(CCN(CCSCCN(CC1)CC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)CC4=NC5=C(C=CC=C5[N+](=O)[O-])C=C4)C

InChI

InChI=1S/C32H40N8O4S/c1-35-13-14-36(2)16-18-38(24-28-12-10-26-6-4-8-30(40(43)44)32(26)34-28)20-22-45-21-19-37(17-15-35)23-27-11-9-25-5-3-7-29(39(41)42)31(25)33-27/h3-12H,13-24H2,1-2H3