1-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-azanyl-2-azanylidene-ethanesulfonic acid

Systemtic Name: 1-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-azanyl-2-azanylidene-ethanesulfonic acid Openeye Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-imino-ethanesulfonic acid CAS Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-2-iminoethanesulfonic acid IUPAC Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-iminoethanesulfonic acid Traditional Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-2-imino-ethanesulfonic acid Formula: C13H13F3N4O4S MolecularWeight: 378.32693

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13F3N4O4S/c1-20-8-3-5(10(11(17)18)25(22,23)24)2-7(13(14,15)16)6(8)4-9(20)12(19)21/h2-4,10H,1H3,(H3,17,18)(H2,19,21)(H,22,23,24)