1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane

Systemtic Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Openeye Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(p-tolylsulfonyl)-1,4-diazepane CAS Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-[2,4-bis(methylsulfonyl)phenyl]-4-(4-methylphenyl)sulfonyl-1,4-diazepane Traditional Name: 1-(2,4-dimesylphenyl)-4-tosyl-1,4-diazepane Formula: C20H26N2O6S3 MolecularWeight: 486.62524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C3=C(C=C(C=C3)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C20H26N2O6S3/c1-16-5-7-17(8-6-16)31(27,28)22-12-4-11-21(13-14-22)19-10-9-18(29(2,23)24)15-20(19)30(3,25)26/h5-10,15H,4,11-14H2,1-3H3