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

Systemtic Name: 1-[1,5-bis(methylsulfonyl)-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Openeye Name: 1-[1,5-bis(methylsulfonyl)-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone CAS Name: 1-[1,5-bis(methylsulfonyl)-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone IUPAC Name: 1-[1,5-bis(methylsulfonyl)-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Traditional Name: 1-(1,5-dimesyl-2,4-dihydro-1,3,5-benzotriazepin-3-yl)ethanone Formula: C12H17N3O5S2 MolecularWeight: 347.41048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CN(C2=CC=CC=C2N(C1)S(=O)(=O)C)S(=O)(=O)C

Isomeric SMILES

CC(=O)N1CN(C2=CC=CC=C2N(C1)S(=O)(=O)C)S(=O)(=O)C

InChI

InChI=1S/C12H17N3O5S2/c1-10(16)13-8-14(21(2,17)18)11-6-4-5-7-12(11)15(9-13)22(3,19)20/h4-7H,8-9H2,1-3H3