N-[bis(azanyl)methylidene]-4-(4-chloranyl-3,5-dimethyl-phenoxy)-3-methylsulfonyl-benzamide

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-chloranyl-3,5-dimethyl-phenoxy)-3-methylsulfonyl-benzamide Openeye Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-(diaminomethylene)-3-methylsulfonyl-benzamide CAS Name: 4-(4-chloro-3,5-dimethylphenoxy)-N-(diaminomethylidene)-3-methylsulfonylbenzamide IUPAC Name: 4-(4-chloro-3,5-dimethylphenoxy)-N-(diaminomethylidene)-3-methylsulfonylbenzamide Traditional Name: 4-(4-chloro-3,5-dimethyl-phenoxy)-N-(diaminomethylene)-3-mesyl-benzamide Formula: C17H18ClN3O4S MolecularWeight: 395.86052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C

InChI

InChI=1S/C17H18ClN3O4S/c1-9-6-12(7-10(2)15(9)18)25-13-5-4-11(16(22)21-17(19)20)8-14(13)26(3,23)24/h4-8H,1-3H3,(H4,19,20,21,22)