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

Systemtic Name: 1-[1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Openeye Name: 1-[1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone CAS Name: 1-[1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone IUPAC Name: 1-[1,5-bis[(4-methyl-3-nitrophenyl)sulfonyl]-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Traditional Name: 1-[1,5-bis[(4-methyl-3-nitro-phenyl)sulfonyl]-2,4-dihydro-1,3,5-benzotriazepin-3-yl]ethanone Formula: C24H23N5O9S2 MolecularWeight: 589.59752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CN(CN(C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CN(CN(C3=CC=CC=C32)S(=O)(=O)C4=CC(=C(C=C4)C)[N+](=O)[O-])C(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C24H23N5O9S2/c1-16-8-10-19(12-23(16)28(31)32)39(35,36)26-14-25(18(3)30)15-27(22-7-5-4-6-21(22)26)40(37,38)20-11-9-17(2)24(13-20)29(33)34/h4-13H,14-15H2,1-3H3