N-carbamimidoyl-N-(2-imidazol-1-ylethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid

Systemtic Name: N-carbamimidoyl-N-(2-imidazol-1-ylethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid Openeye Name: N-carbamimidoyl-N-(2-imidazol-1-ylethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid CAS Name: N-carbamimidoyl-N-[2-(1-imidazolyl)ethoxy]-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide; methanesulfonic acid IUPAC Name: N-carbamimidoyl-N-(2-imidazol-1-ylethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid Traditional Name: N-amidino-N-(2-imidazol-1-ylethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; mesylic acid Formula: C19H25F3N6O8S2 MolecularWeight: 586.56241

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OCCN3C=CN=C3)C(F)(F)F.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OCCN3C=CN=C3)C(F)(F)F.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C17H17F3N6O2.2CH4O3S/c1-24-13-4-2-3-12(17(18,19)20)11(13)9-14(24)15(27)26(16(21)22)28-8-7-25-6-5-23-10-25;2*1-5(2,3)4/h2-6,9-10H,7-8H2,1H3,(H3,21,22);2*1H3,(H,2,3,4)