N-[bis(azanyl)methylidene]-4-cyclopentyl-2-ethynyl-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyclopentyl-2-ethynyl-3-methylsulfonyl-benzamide Openeye Name: 4-cyclopentyl-N-(diaminomethylene)-2-ethynyl-3-methylsulfonyl-benzamide CAS Name: 4-cyclopentyl-N-(diaminomethylidene)-2-ethynyl-3-methylsulfonylbenzamide IUPAC Name: 4-cyclopentyl-N-(diaminomethylidene)-2-ethynyl-3-methylsulfonylbenzamide Traditional Name: 4-cyclopentyl-N-(diaminomethylene)-2-ethynyl-3-mesyl-benzamide Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1C#C)C(=O)N=C(N)N)C2CCCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1C#C)C(=O)N=C(N)N)C2CCCC2

InChI

InChI=1S/C16H19N3O3S/c1-3-11-13(15(20)19-16(17)18)9-8-12(10-6-4-5-7-10)14(11)23(2,21)22/h1,8-10H,4-7H2,2H3,(H4,17,18,19,20)