tert-butyl 9-methylidene-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane-4-carboxylate

Systemtic Name: tert-butyl 9-methylidene-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane-4-carboxylate Openeye Name: tert-butyl 9-methylene-1,7-bis(p-tolylsulfonyl)-1,4,7-triazecane-4-carboxylate CAS Name: 9-methylene-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-methylidene-1,7-bis-(4-methylphenyl)sulfonyl-1,4,7-triazecane-4-carboxylate Traditional Name: 9-methylene-1,7-ditosyl-1,4,7-triazecane-4-carboxylic acid tert-butyl ester Formula: C27H37N3O6S2 MolecularWeight: 563.72918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H37N3O6S2/c1-21-7-11-24(12-8-21)37(32,33)29-17-15-28(26(31)36-27(4,5)6)16-18-30(20-23(3)19-29)38(34,35)25-13-9-22(2)10-14-25/h7-14H,3,15-20H2,1-2,4-6H3