4-diethoxyphosphoryl-11-fluoranyl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane

Systemtic Name: 4-diethoxyphosphoryl-11-fluoranyl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Openeye Name: 4-diethoxyphosphoryl-11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane CAS Name: 4-diethoxyphosphoryl-11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane IUPAC Name: 4-diethoxyphosphoryl-11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Traditional Name: 4-diethoxyphosphoryl-11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Formula: C27H39FN5O11PS2 MolecularWeight: 723.727624

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCN(CCCC(CCCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC

Isomeric SMILES

CCOP(=O)(N1CCN(CCCC(CCCN(CC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])F)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OCC

InChI

InChI=1S/C27H39FN5O11PS2/c1-3-43-45(38,44-4-2)29-19-21-30(46(39,40)26-15-7-5-13-24(26)32(34)35)17-9-11-23(28)12-10-18-31(22-20-29)47(41,42)27-16-8-6-14-25(27)33(36)37/h5-8,13-16,23H,3-4,9-12,17-22H2,1-2H3