3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazepane

Systemtic Name: 3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazepane Openeye Name: 3,6-bis(p-tolylsulfonyl)-1,3,6-oxadiazepane CAS Name: 3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazepane IUPAC Name: 3,6-bis-(4-methylphenyl)sulfonyl-1,3,6-oxadiazepane Traditional Name: 3,6-ditosyl-1,3,6-oxadiazepane Formula: C18H22N2O5S2 MolecularWeight: 410.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(COC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(COC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H22N2O5S2/c1-15-3-7-17(8-4-15)26(21,22)19-11-12-20(14-25-13-19)27(23,24)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3