N-[bis(azanyl)methylidene]-4-(4-chloranyl-3-methyl-phenoxy)-3-methylsulfonyl-benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-chloranyl-3-methyl-phenoxy)-3-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-(4-chloro-3-methyl-phenoxy)-N-(diaminomethylene)-3-methylsulfonyl-benzamide hydrochloride CAS Name: 4-(4-chloro-3-methylphenoxy)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-(4-chloro-3-methylphenoxy)-N-(diaminomethylidene)-3-methylsulfonylbenzamide hydrochloride Traditional Name: 4-(4-chloro-3-methyl-phenoxy)-N-(diaminomethylene)-3-mesyl-benzamide hydrochloride Formula: C16H17Cl2N3O4S MolecularWeight: 418.29488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)Cl.Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(=O)N=C(N)N)S(=O)(=O)C)Cl.Cl

InChI

InChI=1S/C16H16ClN3O4S.ClH/c1-9-7-11(4-5-12(9)17)24-13-6-3-10(15(21)20-16(18)19)8-14(13)25(2,22)23;/h3-8H,1-2H3,(H4,18,19,20,21);1H