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

Systemtic Name: 2-[2-aminocarbonyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-1-azanyl-1-azanylidene-propane-2-sulfonic acid Openeye Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-1-imino-propane-2-sulfonic acid CAS Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)-7-indolyl]-1-imino-2-propanesulfonic acid IUPAC Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-1-iminopropane-2-sulfonic acid Traditional Name: 1-amino-2-[2-carbamoyl-1-methyl-4-(trifluoromethyl)indol-7-yl]-1-imino-propane-2-sulfonic acid Formula: C14H15F3N4O4S MolecularWeight: 392.35351

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=C(C=C1)C(F)(F)F)C=C(N2C)C(=O)N)(C(=N)N)S(=O)(=O)O

Isomeric SMILES

CC(C1=C2C(=C(C=C1)C(F)(F)F)C=C(N2C)C(=O)N)(C(=N)N)S(=O)(=O)O

InChI

InChI=1S/C14H15F3N4O4S/c1-13(12(19)20,26(23,24)25)8-4-3-7(14(15,16)17)6-5-9(11(18)22)21(2)10(6)8/h3-5H,1-2H3,(H2,18,22)(H3,19,20)(H,23,24,25)