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

Systemtic Name: 11-fluoranyl-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Openeye Name: 11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane CAS Name: 11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane IUPAC Name: 11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Traditional Name: 11-fluoro-1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Formula: C23H30FN5O8S2 MolecularWeight: 587.641403

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCCN(CCNCCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])F

Isomeric SMILES

C1CC(CCCN(CCNCCN(C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])F

InChI

InChI=1S/C23H30FN5O8S2/c24-19-7-5-15-26(38(34,35)22-11-3-1-9-20(22)28(30)31)17-13-25-14-18-27(16-6-8-19)39(36,37)23-12-4-2-10-21(23)29(32)33/h1-4,9-12,19,25H,5-8,13-18H2