1-[1,5-bis-(4-methylphenyl)sulfonyl-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone

Systemtic Name: 1-[1,5-bis-(4-methylphenyl)sulfonyl-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Openeye Name: 1-[1,5-bis(p-tolylsulfonyl)-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone CAS Name: 1-[1,5-bis-(4-methylphenyl)sulfonyl-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone IUPAC Name: 1-[1,5-bis-(4-methylphenyl)sulfonyl-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Traditional Name: 1-(1,5-ditosyl-2,4-dihydro-1,3,5-benzotriazepin-3-yl)ethanone Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CN(CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CN(CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)C)C(=O)C

InChI

InChI=1S/C24H25N3O5S2/c1-18-8-12-21(13-9-18)33(29,30)26-16-25(20(3)28)17-27(24-7-5-4-6-23(24)26)34(31,32)22-14-10-19(2)11-15-22/h4-15H,16-17H2,1-3H3