methanesulfonate; N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-4-pyrrol-1-yl-benzamide

Systemtic Name: methanesulfonate; N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-4-pyrrol-1-yl-benzamide Openeye Name: methanesulfonate; N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-4-pyrrol-1-yl-benzamide CAS Name: N-[amino(methylimino)methyl]-3-methylsulfonyl-4-(1-pyrrolyl)benzamide; methanesulfonate IUPAC Name: methanesulfonate; N-(N'-methylcarbamimidoyl)-3-methylsulfonyl-4-pyrrol-1-ylbenzamide Traditional Name: 3-mesyl-N-(N'-methylamidino)-4-pyrrol-1-yl-benzamide mesylate Formula: C15H19N4O6S2- MolecularWeight: 415.46456

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(N)NC(=O)C1=CC(=C(C=C1)N2C=CC=C2)S(=O)(=O)C.CS(=O)(=O)[O-]

Isomeric SMILES

CN=C(N)NC(=O)C1=CC(=C(C=C1)N2C=CC=C2)S(=O)(=O)C.CS(=O)(=O)[O-]

InChI

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