N-carbamimidoyl-N-(furan-2-ylmethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid

Systemtic Name: N-carbamimidoyl-N-(furan-2-ylmethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid Openeye Name: N-carbamimidoyl-N-(2-furylmethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid CAS Name: N-carbamimidoyl-N-(2-furanylmethoxy)-1-methyl-4-(trifluoromethyl)-2-indolecarboxamide; methanesulfonic acid IUPAC Name: N-carbamimidoyl-N-(furan-2-ylmethoxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; methanesulfonic acid Traditional Name: N-amidino-N-(2-furfuryloxy)-1-methyl-4-(trifluoromethyl)indole-2-carboxamide; mesylic acid Formula: C18H19F3N4O6S MolecularWeight: 476.42687

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OCC3=CC=CO3)C(F)(F)F.CS(=O)(=O)O

Isomeric SMILES

CN1C2=CC=CC(=C2C=C1C(=O)N(C(=N)N)OCC3=CC=CO3)C(F)(F)F.CS(=O)(=O)O

InChI

InChI=1S/C17H15F3N4O3.CH4O3S/c1-23-13-6-2-5-12(17(18,19)20)11(13)8-14(23)15(25)24(16(21)22)27-9-10-4-3-7-26-10;1-5(2,3)4/h2-8H,9H2,1H3,(H3,21,22);1H3,(H,2,3,4)