2,9-bis(chloromethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-thiadiazonane

Systemtic Name: 2,9-bis(chloromethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-thiadiazonane Openeye Name: 2,9-bis(chloromethyl)-4,7-bis(p-tolylsulfonyl)-1,4,7-thiadiazonane CAS Name: 2,9-bis(chloromethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-thiadiazonane IUPAC Name: 2,9-bis(chloromethyl)-4,7-bis-(4-methylphenyl)sulfonyl-1,4,7-thiadiazonane Traditional Name: 2,9-bis(chloromethyl)-4,7-ditosyl-1,4,7-thiadiazonane Formula: C22H28Cl2N2O4S3 MolecularWeight: 551.56972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(SC(C2)CCl)CCl)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC(SC(C2)CCl)CCl)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H28Cl2N2O4S3/c1-17-3-7-21(8-4-17)32(27,28)25-11-12-26(16-20(14-24)31-19(13-23)15-25)33(29,30)22-9-5-18(2)6-10-22/h3-10,19-20H,11-16H2,1-2H3