N-[bis(azanyl)methylidene]-4-(4-bromophenyl)sulfonyl-2-ethyl-5-nitro-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-bromophenyl)sulfonyl-2-ethyl-5-nitro-benzamide Openeye Name: 4-(4-bromophenyl)sulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide CAS Name: 4-(4-bromophenyl)sulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide IUPAC Name: 4-(4-bromophenyl)sulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide Traditional Name: 4-brosyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C16H15BrN4O5S MolecularWeight: 455.2831

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H15BrN4O5S/c1-2-9-7-14(27(25,26)11-5-3-10(17)4-6-11)13(21(23)24)8-12(9)15(22)20-16(18)19/h3-8H,2H2,1H3,(H4,18,19,20,22)