4-(benzimidazol-1-yl)-N-[bis(azanyl)methylidene]-2-(fluoranylmethyl)-5-methylsulfonyl-benzamide

Systemtic Name: 4-(benzimidazol-1-yl)-N-[bis(azanyl)methylidene]-2-(fluoranylmethyl)-5-methylsulfonyl-benzamide Openeye Name: 4-(benzimidazol-1-yl)-N-(diaminomethylene)-2-(fluoromethyl)-5-methylsulfonyl-benzamide CAS Name: 4-(1-benzimidazolyl)-N-(diaminomethylidene)-2-(fluoromethyl)-5-methylsulfonylbenzamide IUPAC Name: 4-(benzimidazol-1-yl)-N-(diaminomethylidene)-2-(fluoromethyl)-5-methylsulfonylbenzamide Traditional Name: 4-(benzimidazol-1-yl)-N-(diaminomethylene)-2-(fluoromethyl)-5-mesyl-benzamide Formula: C17H16FN5O3S MolecularWeight: 389.404043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)CF)N2C=NC3=CC=CC=C32

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C(=C1)C(=O)N=C(N)N)CF)N2C=NC3=CC=CC=C32

InChI

InChI=1S/C17H16FN5O3S/c1-27(25,26)15-7-11(16(24)22-17(19)20)10(8-18)6-14(15)23-9-21-12-4-2-3-5-13(12)23/h2-7,9H,8H2,1H3,(H4,19,20,22,24)