7,16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetrathia-7,16-diazacyclooctadecane

Systemtic Name: 7,16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetrathia-7,16-diazacyclooctadecane Openeye Name: 7,16-bis(p-tolylsulfonyl)-1,4,10,13-tetrathia-7,16-diazacyclooctadecane CAS Name: 7,16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetrathia-7,16-diazacyclooctadecane IUPAC Name: 7,16-bis-(4-methylphenyl)sulfonyl-1,4,10,13-tetrathia-7,16-diazacyclooctadecane Traditional Name: 7,16-ditosyl-1,4,10,13-tetrathia-7,16-diazacyclooctadecane Formula: C26H38N2O4S6 MolecularWeight: 634.98092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCSCCSCCN(CCSCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCSCCSCCN(CCSCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C26H38N2O4S6/c1-23-3-7-25(8-4-23)37(29,30)27-11-15-33-19-21-35-17-13-28(14-18-36-22-20-34-16-12-27)38(31,32)26-9-5-24(2)6-10-26/h3-10H,11-22H2,1-2H3