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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2.CS(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2.CS(=O)(=O)O

InChI

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