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

Systemtic Name: 1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Openeye Name: 1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane CAS Name: 1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane IUPAC Name: 1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Traditional Name: 1,7-bis[(2-nitrophenyl)sulfonyl]-1,4,7-triazacyclotetradecane Formula: C23H31N5O8S2 MolecularWeight: 569.65094

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CCNCCN(CCC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CCNCCN(CCC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H31N5O8S2/c29-27(30)20-10-4-6-12-22(20)37(33,34)25-16-8-2-1-3-9-17-26(19-15-24-14-18-25)38(35,36)23-13-7-5-11-21(23)28(31)32/h4-7,10-13,24H,1-3,8-9,14-19H2