7-methyl-1,4,10,13-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclohexadecane

Systemtic Name: 7-methyl-1,4,10,13-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclohexadecane Openeye Name: 7-methyl-1,4,10,13-tetrakis(p-tolylsulfonyl)-1,4,7,10,13-pentazacyclohexadecane CAS Name: 7-methyl-1,4,10,13-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclohexadecane IUPAC Name: 7-methyl-1,4,10,13-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10,13-pentazacyclohexadecane Traditional Name: 7-methyl-1,4,10,13-tetratosyl-1,4,7,10,13-pentazacyclohexadecane Formula: C40H53N5O8S4 MolecularWeight: 860.13752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)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)N2CCCN(CCN(CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C40H53N5O8S4/c1-33-7-15-37(16-8-33)54(46,47)42-23-6-24-43(55(48,49)38-17-9-34(2)10-18-38)30-32-45(57(52,53)40-21-13-36(4)14-22-40)28-26-41(5)25-27-44(31-29-42)56(50,51)39-19-11-35(3)12-20-39/h7-22H,6,23-32H2,1-5H3