2,5-bis(chloromethyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 2,5-bis(chloromethyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 2,5-bis(chloromethyl)-1,4-bis(p-tolylsulfonyl)-1,4-diazepane CAS Name: 2,5-bis(chloromethyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 2,5-bis(chloromethyl)-1,4-bis-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 2,5-bis(chloromethyl)-1,4-ditosyl-1,4-diazepane Formula: C21H26Cl2N2O4S2 MolecularWeight: 505.47814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(N(CC2CCl)S(=O)(=O)C3=CC=C(C=C3)C)CCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(N(CC2CCl)S(=O)(=O)C3=CC=C(C=C3)C)CCl

InChI

InChI=1S/C21H26Cl2N2O4S2/c1-16-3-7-20(8-4-16)30(26,27)24-12-11-18(13-22)25(15-19(24)14-23)31(28,29)21-9-5-17(2)6-10-21/h3-10,18-19H,11-15H2,1-2H3