N-[bis(azanyl)methylidene]-4-cycloheptylsulfinyl-2-ethyl-5-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-cycloheptylsulfinyl-2-ethyl-5-methylsulfonyl-benzamide Openeye Name: 4-cycloheptylsulfinyl-N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-benzamide CAS Name: 4-cycloheptylsulfinyl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide IUPAC Name: 4-cycloheptylsulfinyl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide Traditional Name: 4-cycloheptylsulfinyl-N-(diaminomethylene)-2-ethyl-5-mesyl-benzamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)C2CCCCCC2

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)C2CCCCCC2

InChI

InChI=1S/C18H27N3O4S2/c1-3-12-10-15(26(23)13-8-6-4-5-7-9-13)16(27(2,24)25)11-14(12)17(22)21-18(19)20/h10-11,13H,3-9H2,1-2H3,(H4,19,20,21,22)