1,9-bis-(4-methylphenyl)sulfonyl-5-methylsulfonyl-13-(phenylmethyl)-1,5,9,13-tetrazacyclohexadecane

Systemtic Name: 1,9-bis-(4-methylphenyl)sulfonyl-5-methylsulfonyl-13-(phenylmethyl)-1,5,9,13-tetrazacyclohexadecane Openeye Name: 1-benzyl-9-methylsulfonyl-5,13-bis(p-tolylsulfonyl)-1,5,9,13-tetrazacyclohexadecane CAS Name: 1,9-bis-(4-methylphenyl)sulfonyl-5-methylsulfonyl-13-(phenylmethyl)-1,5,9,13-tetrazacyclohexadecane IUPAC Name: 1-benzyl-5,13-bis-(4-methylphenyl)sulfonyl-9-methylsulfonyl-1,5,9,13-tetrazacyclohexadecane Traditional Name: 1-benzyl-9-mesyl-5,13-ditosyl-1,5,9,13-tetrazacyclohexadecane Formula: C34H48N4O6S3 MolecularWeight: 704.96312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CCCN(CCC2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCCN(CCCN(CCC2)S(=O)(=O)C)S(=O)(=O)C3=CC=C(C=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C34H48N4O6S3/c1-30-13-17-33(18-14-30)46(41,42)37-25-7-21-35(29-32-11-5-4-6-12-32)22-8-26-38(47(43,44)34-19-15-31(2)16-20-34)28-10-24-36(23-9-27-37)45(3,39)40/h4-6,11-20H,7-10,21-29H2,1-3H3