4-[[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]methyl]phenol

Systemtic Name: 4-[[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]methyl]phenol Openeye Name: 4-[[7-methylene-5,9-bis(p-tolylsulfonyl)-1,5,9-triazacyclododec-1-yl]methyl]phenol CAS Name: 4-[[7-methylene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]methyl]phenol IUPAC Name: 4-[[7-methylidene-5,9-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododec-1-yl]methyl]phenol Traditional Name: 4-[(7-methylene-5,9-ditosyl-1,5,9-triazacyclododec-1-yl)methyl]phenol Formula: C31H39N3O5S2 MolecularWeight: 597.78846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=C(C=C4)O

InChI

InChI=1S/C31H39N3O5S2/c1-25-6-14-30(15-7-25)40(36,37)33-20-4-18-32(24-28-10-12-29(35)13-11-28)19-5-21-34(23-27(3)22-33)41(38,39)31-16-8-26(2)9-17-31/h6-17,35H,3-5,18-24H2,1-2H3