N-[bis(azanyl)methylidene]-2-methyl-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-2-methyl-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-2-methyl-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(1H-pyrrol-2-yl)benzamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-5-mesyl-2-methyl-4-(1H-pyrrol-2-yl)benzamide; mesylic acid Formula: C15H20N4O6S2 MolecularWeight: 416.4725

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C2=CC=CN2)S(=O)(=O)C)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C(=C1)C2=CC=CN2)S(=O)(=O)C)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C14H16N4O3S.CH4O3S/c1-8-6-10(11-4-3-5-17-11)12(22(2,20)21)7-9(8)13(19)18-14(15)16;1-5(2,3)4/h3-7,17H,1-2H3,(H4,15,16,18,19);1H3,(H,2,3,4)