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2-(4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)-1-[4,8,11-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone
2-(4,8,11-trimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)-1-[4,8,11-tris-(4-methylphenyl)sulfonyl-1,4,8,11-tetrazacyclotetradec-1-yl]ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)CN5CCCN(CCN(CCCN(CC5)C)C)C
Isomeric SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCN(CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)CN5CCCN(CCN(CCCN(CC5)C)C)C
InChI
InChI=1S/C46H72N8O7S3/c1-40-11-17-43(18-12-40)62(56,57)52-29-10-30-54(64(60,61)45-21-15-42(3)16-22-45)38-37-53(63(58,59)44-19-13-41(2)14-20-44)28-9-27-51(35-36-52)46(55)39-50-26-8-25-48(5)32-31-47(4)23-7-24-49(6)33-34-50/h11-22H,7-10,23-39H2,1-6H3
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