4,7,13,16-tetrakis-(4-methylphenyl)sulfonyl-1,10-dithia-4,7,13,16-tetrazacyclooctadecane

Systemtic Name: 4,7,13,16-tetrakis-(4-methylphenyl)sulfonyl-1,10-dithia-4,7,13,16-tetrazacyclooctadecane Openeye Name: 4,7,13,16-tetrakis(p-tolylsulfonyl)-1,10-dithia-4,7,13,16-tetrazacyclooctadecane CAS Name: 4,7,13,16-tetrakis-(4-methylphenyl)sulfonyl-1,10-dithia-4,7,13,16-tetrazacyclooctadecane IUPAC Name: 4,7,13,16-tetrakis-(4-methylphenyl)sulfonyl-1,10-dithia-4,7,13,16-tetrazacyclooctadecane Traditional Name: 4,7,13,16-tetratosyl-1,10-dithia-4,7,13,16-tetrazacyclooctadecane Formula: C40H52N4O8S6 MolecularWeight: 909.25288

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCN(CCN(CCSCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCN(CCN(CCSCC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C40H52N4O8S6/c1-33-5-13-37(14-6-33)55(45,46)41-21-22-42(56(47,48)38-15-7-34(2)8-16-38)26-31-54-32-28-44(58(51,52)40-19-11-36(4)12-20-40)24-23-43(27-30-53-29-25-41)57(49,50)39-17-9-35(3)10-18-39/h5-20H,21-32H2,1-4H3