N-[bis(azanyl)methylidene]-3-methylsulfonyl-2-nitro-4-pentyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-3-methylsulfonyl-2-nitro-4-pentyl-benzamide Openeye Name: N-(diaminomethylene)-3-methylsulfonyl-2-nitro-4-pentyl-benzamide CAS Name: N-(diaminomethylidene)-3-methylsulfonyl-2-nitro-4-pentylbenzamide IUPAC Name: N-(diaminomethylidene)-3-methylsulfonyl-2-nitro-4-pentylbenzamide Traditional Name: 4-amyl-N-(diaminomethylene)-3-mesyl-2-nitro-benzamide Formula: C14H20N4O5S MolecularWeight: 356.3974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C

Isomeric SMILES

CCCCCC1=C(C(=C(C=C1)C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C

InChI

InChI=1S/C14H20N4O5S/c1-3-4-5-6-9-7-8-10(13(19)17-14(15)16)11(18(20)21)12(9)24(2,22)23/h7-8H,3-6H2,1-2H3,(H4,15,16,17,19)