5-[3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl]pentan-1-amine

Systemtic Name: 5-[3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl]pentan-1-amine Openeye Name: 5-[3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl]pentan-1-amine CAS Name: 5-[3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl]-1-pentanamine IUPAC Name: 5-[3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl]pentan-1-amine Traditional Name: 5-[3,10-bis[(2-nitrophenyl)sulfonyl]-3,7,10,16-tetrazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-7-yl]pentylamine Formula: C29H37N7O8S2 MolecularWeight: 675.77618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(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-])CCCCCN

Isomeric SMILES

C1CN(CCN(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-])CCCCCN

InChI

InChI=1S/C29H37N7O8S2/c30-16-6-1-7-17-32-18-9-19-33(45(41,42)28-14-4-2-12-26(28)35(37)38)22-24-10-8-11-25(31-24)23-34(21-20-32)46(43,44)29-15-5-3-13-27(29)36(39)40/h2-5,8,10-15H,1,6-7,9,16-23,30H2