1,2,2,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane

Systemtic Name: 1,2,2,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane Openeye Name: 1,2,2,3-tetrakis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclotetradecane CAS Name: 1,2,2,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane IUPAC Name: 1,2,2,3-tetrakis-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclotetradecane Traditional Name: 1,2,2,3-tetratosyl-1,4,7,10-tetrazacyclotetradecane Formula: C38H48N4O8S4 MolecularWeight: 817.06972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(N(CCCCNCCNCCN2)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)C2C(N(CCCCNCCNCCN2)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/C38H48N4O8S4/c1-29-7-15-33(16-8-29)51(43,44)37-38(52(45,46)34-17-9-30(2)10-18-34,53(47,48)35-19-11-31(3)12-20-35)42(54(49,50)36-21-13-32(4)14-22-36)28-6-5-23-39-24-25-40-26-27-41-37/h7-22,37,39-41H,5-6,23-28H2,1-4H3