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

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

Systemtic Name:2-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-azanyl-1-azanylidene-4-oxidanylidene-butane-2-sulfonic acid
Openeye Name:1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-4-oxo-butane-2-sulfonic acid
CAS Name:1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)-6-indolyl]-1-imino-4-oxo-2-butanesulfonic acid
IUPAC Name:1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-4-oxobutane-2-sulfonic acid
Traditional Name:1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-6-yl]-1-imino-4-keto-butane-2-sulfonic acid
Formula: C15H15F3N4O5S
MolecularWeight: 420.36361
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C15H15F3N4O5S/c1-22-10-5-7(14(2-3-23,13(20)21)28(25,26)27)4-9(15(16,17)18)8(10)6-11(22)12(19)24/h3-6H,2H2,1H3,(H2,19,24)(H3,20,21)(H,25,26,27)


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