8-diethoxyphosphoryl-4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane

Systemtic Name: 8-diethoxyphosphoryl-4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane Openeye Name: 8-diethoxyphosphoryl-4,12-bis(p-tolylsulfonyl)-1-oxa-4,8,12-triazacyclotetradecane CAS Name: 8-diethoxyphosphoryl-4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane IUPAC Name: 8-diethoxyphosphoryl-4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane Traditional Name: 8-diethoxyphosphoryl-4,12-ditosyl-1-oxa-4,8,12-triazacyclotetradecane Formula: C28H44N3O8PS2 MolecularWeight: 645.768021

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(N1CCCN(CCOCCN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOP(=O)(N1CCCN(CCOCCN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C28H44N3O8PS2/c1-5-38-40(32,39-6-2)29-17-7-19-30(41(33,34)27-13-9-25(3)10-14-27)21-23-37-24-22-31(20-8-18-29)42(35,36)28-15-11-26(4)12-16-28/h9-16H,5-8,17-24H2,1-4H3