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

Systemtic Name: 1-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Openeye Name: 1-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane CAS Name: 1-methyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane IUPAC Name: 1-methyl-4-(2-methyl-5-nitrophenyl)sulfonyl-1,4-diazepane Traditional Name: 1-methyl-4-(2-methyl-5-nitro-phenyl)sulfonyl-1,4-diazepane Formula: C13H19N3O4S MolecularWeight: 313.37266

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)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O4S/c1-11-4-5-12(16(17)18)10-13(11)21(19,20)15-7-3-6-14(2)8-9-15/h4-5,10H,3,6-9H2,1-2H3