2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]-N,N-bis[2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]ethyl]ethanamine

Systemtic Name: 2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]-N,N-bis[2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]ethyl]ethanamine Openeye Name: 2-[1,7,11-tris(p-tolylsulfonyl)-1,4,7,11-tetrazacyclotetradec-4-yl]-N,N-bis[2-[1,7,11-tris(p-tolylsulfonyl)-1,4,7,11-tetrazacyclotetradec-4-yl]ethyl]ethanamine CAS Name: 2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]-N,N-bis[2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]ethyl]ethanamine IUPAC Name: 2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]-N,N-bis[2-[1,7,11-tris-(4-methylphenyl)sulfonyl-1,4,7,11-tetrazacyclotetradec-4-yl]ethyl]ethanamine Traditional Name: tris[2-(1,7,11-tritosyl-1,4,7,11-tetrazacyclotetradec-4-yl)ethyl]amine Formula: C99H135N13O18S9 MolecularWeight: 2083.7925

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)CCN(CCN4CCN(CCCN(CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)S(=O)(=O)C7=CC=C(C=C7)C)CCN8CCN(CCCN(CCCN(CC8)S(=O)(=O)C9=CC=C(C=C9)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCN(CCC2)S(=O)(=O)C3=CC=C(C=C3)C)CCN(CCN4CCN(CCCN(CCCN(CC4)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)S(=O)(=O)C7=CC=C(C=C7)C)CCN8CCN(CCCN(CCCN(CC8)S(=O)(=O)C9=CC=C(C=C9)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C99H135N13O18S9/c1-82-16-34-91(35-17-82)131(113,114)104-52-10-58-107(134(119,120)94-40-22-85(4)23-41-94)76-70-101(71-77-108(59-11-53-104)135(121,122)95-42-24-86(5)25-43-95)67-64-100(65-68-102-72-78-109(136(123,124)96-44-26-87(6)27-45-96)60-12-54-105(132(115,116)92-36-18-83(2)19-37-92)55-13-61-110(79-73-102)137(125,126)97-46-28-88(7)29-47-97)66-69-103-74-80-111(138(127,128)98-48-30-89(8)31-49-98)62-14-56-106(133(117,118)93-38-20-84(3)21-39-93)57-15-63-112(81-75-103)139(129,130)99-50-32-90(9)33-51-99/h16-51H,10-15,52-81H2,1-9H3