1-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-2-azanyl-2-azanylidene-ethanesulfonic acid

Systemtic Name: 1-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-2-azanyl-2-azanylidene-ethanesulfonic acid Openeye Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-2-imino-ethanesulfonic acid CAS Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)-7-indolyl]-2-iminoethanesulfonic acid IUPAC Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-2-iminoethanesulfonic acid Traditional Name: 2-amino-1-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-2-imino-ethanesulfonic acid Formula: C13H13F3N4O4S MolecularWeight: 378.32693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=C(C=CC(=C21)C(C(=N)N)S(=O)(=O)O)C(F)(F)F)C(=O)N

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)C(C(=N)N)S(=O)(=O)O)C(F)(F)F)C(=O)N

InChI

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