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

Systemtic Name: N-[bis(azanyl)methylidene]-4-cycloheptylsulfonyl-2-ethyl-5-nitro-benzamide Openeye Name: 4-cycloheptylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide CAS Name: 4-cycloheptylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide IUPAC Name: 4-cycloheptylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-nitrobenzamide Traditional Name: 4-cycloheptylsulfonyl-N-(diaminomethylene)-2-ethyl-5-nitro-benzamide Formula: C17H24N4O5S MolecularWeight: 396.46126

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2CCCCCC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)[N+](=O)[O-])S(=O)(=O)C2CCCCCC2

InChI

InChI=1S/C17H24N4O5S/c1-2-11-9-15(27(25,26)12-7-5-3-4-6-8-12)14(21(23)24)10-13(11)16(22)20-17(18)19/h9-10,12H,2-8H2,1H3,(H4,18,19,20,22)