N-[bis(azanyl)methylidene]-4-cyclopropylsulfonyl-2-methyl-5-methylsulfonyl-benzamide hydrochloride

Systemtic Name: N-[bis(azanyl)methylidene]-4-cyclopropylsulfonyl-2-methyl-5-methylsulfonyl-benzamide hydrochloride Openeye Name: 4-cyclopropylsulfonyl-N-(diaminomethylene)-2-methyl-5-methylsulfonyl-benzamide hydrochloride CAS Name: 4-cyclopropylsulfonyl-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide hydrochloride IUPAC Name: 4-cyclopropylsulfonyl-N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide hydrochloride Traditional Name: 4-cyclopropylsulfonyl-N-(diaminomethylene)-5-mesyl-2-methyl-benzamide hydrochloride Formula: C13H18ClN3O5S2 MolecularWeight: 395.88212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C2CC2.Cl

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C2CC2.Cl

InChI

InChI=1S/C13H17N3O5S2.ClH/c1-7-5-11(23(20,21)8-3-4-8)10(22(2,18)19)6-9(7)12(17)16-13(14)15;/h5-6,8H,3-4H2,1-2H3,(H4,14,15,16,17);1H