3-[2-aminocarbonyl-3-carbamimidoyl-4-(trifluoromethyl)indol-1-yl]propane-1-sulfonic acid

Systemtic Name: 3-[2-aminocarbonyl-3-carbamimidoyl-4-(trifluoromethyl)indol-1-yl]propane-1-sulfonic acid Openeye Name: 3-[3-carbamimidoyl-2-carbamoyl-4-(trifluoromethyl)indol-1-yl]propane-1-sulfonic acid CAS Name: 3-[3-carbamimidoyl-2-carbamoyl-4-(trifluoromethyl)-1-indolyl]-1-propanesulfonic acid IUPAC Name: 3-[3-carbamimidoyl-2-carbamoyl-4-(trifluoromethyl)indol-1-yl]propane-1-sulfonic acid Traditional Name: 3-[3-amidino-2-carbamoyl-4-(trifluoromethyl)indol-1-yl]propane-1-sulfonic acid Formula: C14H15F3N4O4S MolecularWeight: 392.35351

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)N(C(=C2C(=N)N)C(=O)N)CCCS(=O)(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=C2C(=C1)N(C(=C2C(=N)N)C(=O)N)CCCS(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C14H15F3N4O4S/c15-14(16,17)7-3-1-4-8-9(7)10(12(18)19)11(13(20)22)21(8)5-2-6-26(23,24)25/h1,3-4H,2,5-6H2,(H3,18,19)(H2,20,22)(H,23,24,25)