1,4-bis[(2-methyl-5-nitro-phenyl)sulfonyl]-1,4-diazepane

Systemtic Name: 1,4-bis[(2-methyl-5-nitro-phenyl)sulfonyl]-1,4-diazepane Openeye Name: 1,4-bis[(2-methyl-5-nitro-phenyl)sulfonyl]-1,4-diazepane CAS Name: 1,4-bis[(2-methyl-5-nitrophenyl)sulfonyl]-1,4-diazepane IUPAC Name: 1,4-bis[(2-methyl-5-nitrophenyl)sulfonyl]-1,4-diazepane Traditional Name: 1,4-bis[(2-methyl-5-nitro-phenyl)sulfonyl]-1,4-diazepane Formula: C19H22N4O8S2 MolecularWeight: 498.52998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H22N4O8S2/c1-14-4-6-16(22(24)25)12-18(14)32(28,29)20-8-3-9-21(11-10-20)33(30,31)19-13-17(23(26)27)7-5-15(19)2/h4-7,12-13H,3,8-11H2,1-2H3