5,11-bis[(2-nitrophenyl)sulfonyl]-1-oxa-5,8,11-triazacyclotetradecane

Systemtic Name: 5,11-bis[(2-nitrophenyl)sulfonyl]-1-oxa-5,8,11-triazacyclotetradecane Openeye Name: 5,11-bis[(2-nitrophenyl)sulfonyl]-1-oxa-5,8,11-triazacyclotetradecane CAS Name: 5,11-bis[(2-nitrophenyl)sulfonyl]-1-oxa-5,8,11-triazacyclotetradecane IUPAC Name: 5,11-bis[(2-nitrophenyl)sulfonyl]-1-oxa-5,8,11-triazacyclotetradecane Traditional Name: 5,11-bis[(2-nitrophenyl)sulfonyl]-1-oxa-5,8,11-triazacyclotetradecane Formula: C22H29N5O9S2 MolecularWeight: 571.62376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCNCCN(CCCOC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CN(CCNCCN(CCCOC1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H29N5O9S2/c28-26(29)19-7-1-3-9-21(19)37(32,33)24-13-5-17-36-18-6-14-25(16-12-23-11-15-24)38(34,35)22-10-4-2-8-20(22)27(30)31/h1-4,7-10,23H,5-6,11-18H2