9-ethyl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane hydrochloride

Systemtic Name: 9-ethyl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane hydrochloride Openeye Name: 9-ethyl-3-methylene-1,5-bis(p-tolylsulfonyl)-1,5,9-triazacyclododecane hydrochloride CAS Name: 9-ethyl-3-methylene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane hydrochloride IUPAC Name: 9-ethyl-3-methylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5,9-triazacyclododecane hydrochloride Traditional Name: 9-ethyl-3-methylene-1,5-ditosyl-1,5,9-triazacyclododecane hydrochloride Formula: C26H38ClN3O4S2 MolecularWeight: 556.18062

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C.Cl

Isomeric SMILES

CCN1CCCN(CC(=C)CN(CCC1)S(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C.Cl

InChI

InChI=1S/C26H37N3O4S2.ClH/c1-5-27-16-6-18-28(34(30,31)25-12-8-22(2)9-13-25)20-24(4)21-29(19-7-17-27)35(32,33)26-14-10-23(3)11-15-26;/h8-15H,4-7,16-21H2,1-3H3;1H