3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene

Systemtic Name: 3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene Openeye Name: 3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene CAS Name: 3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene IUPAC Name: 3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene Traditional Name: 3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-triene Formula: C24H26N6O8S2 MolecularWeight: 590.62864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(CC2=CC=CC(=N2)CN(C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CNCCN(CC2=CC=CC(=N2)CN(C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O8S2/c31-29(32)21-9-1-3-11-23(21)39(35,36)27-15-6-13-25-14-16-28(18-20-8-5-7-19(17-27)26-20)40(37,38)24-12-4-2-10-22(24)30(33)34/h1-5,7-12,25H,6,13-18H2