N-methoxy-N-methyl-1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane-2-carboxamide

Systemtic Name: N-methoxy-N-methyl-1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane-2-carboxamide Openeye Name: N-methoxy-N-methyl-1,4,8,11-tetrakis(p-tolylsulfonyl)-1,4,8,11-tetrazacyclotetradecane-2-carboxamide CAS Name: N-methoxy-N-methyl-1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane-2-carboxamide IUPAC Name: N-methoxy-N-methyl-1,4,8,11-tetrakis-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradecane-2-carboxamide Traditional Name: N-methoxy-N-methyl-1,4,8,11-tetratosyl-1,4,8,11-tetrazacyclotetradecane-2-carboxamide Formula: C41H53N5O10S4 MolecularWeight: 904.14702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC(N(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)N(C)OC)S(=O)(=O)C5=CC=C(C=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC(N(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)N(C)OC)S(=O)(=O)C5=CC=C(C=C5)C

InChI

InChI=1S/C41H53N5O10S4/c1-32-9-17-36(18-10-32)57(48,49)43-25-7-27-45(59(52,53)38-21-13-34(3)14-22-38)31-40(41(47)42(5)56-6)46(60(54,55)39-23-15-35(4)16-24-39)28-8-26-44(30-29-43)58(50,51)37-19-11-33(2)12-20-37/h9-24,40H,7-8,25-31H2,1-6H3