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

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyclopentylsulfonyl-2-ethyl-5-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-cyclopentylsulfonyl-N-(diaminomethylene)-2-ethyl-5-methylsulfonyl-benzamide hydrochloride CAS Name: 4-cyclopentylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-cyclopentylsulfonyl-N-(diaminomethylidene)-2-ethyl-5-methylsulfonylbenzamide hydrochloride Traditional Name: 4-cyclopentylsulfonyl-N-(diaminomethylene)-2-ethyl-5-mesyl-benzamide hydrochloride Formula: C16H24ClN3O5S2 MolecularWeight: 437.96186

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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)(=O)C2CCCC2.Cl

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C2CCCC2.Cl

InChI

InChI=1S/C16H23N3O5S2.ClH/c1-3-10-8-14(26(23,24)11-6-4-5-7-11)13(25(2,21)22)9-12(10)15(20)19-16(17)18;/h8-9,11H,3-7H2,1-2H3,(H4,17,18,19,20);1H