2-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-azanyl-1-azanylidene-3-oxidanylidene-propane-2-sulfonic acid

Systemtic Name: 2-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-azanyl-1-azanylidene-3-oxidanylidene-propane-2-sulfonic acid Openeye Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-3-oxo-propane-2-sulfonic acid CAS Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-1-imino-3-oxo-2-propanesulfonic acid IUPAC Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-3-oxopropane-2-sulfonic acid Traditional Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-3-keto-propane-2-sulfonic acid Formula: C14H13F3N4O5S MolecularWeight: 406.33703

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC(=CC(=C2C=C1C(=O)N)C(F)(F)F)C(C=O)(C(=N)N)S(=O)(=O)O

Isomeric SMILES

CN1C2=CC(=CC(=C2C=C1C(=O)N)C(F)(F)F)C(C=O)(C(=N)N)S(=O)(=O)O

InChI

InChI=1S/C14H13F3N4O5S/c1-21-9-3-6(13(5-22,12(19)20)27(24,25)26)2-8(14(15,16)17)7(9)4-10(21)11(18)23/h2-5H,1H3,(H2,18,23)(H3,19,20)(H,24,25,26)